Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.

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1-Heptanesulfonic Acid Sodium Salt (HPLC), Fisher Chemical™

CAS: 22767-50-6 Molecular Formula: C7H15NaO3S MDL Number: MFCD00007543 InChI Key: REFMEZARFCPESH-UHFFFAOYSA-M PubChem CID: 23672332

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PubChem CID	23672332
CAS	22767-50-6
MDL Number	MFCD00007543
InChI Key	REFMEZARFCPESH-UHFFFAOYSA-M
Molecular Formula	C7H15NaO3S

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1-Hexanesulfonic Acid Sodium Salt (HPLC), Fisher Chemical™

CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O

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PubChem CID	23677630
CAS	2832-45-3
Molecular Weight (g/mol)	188.22
MDL Number	MFCD00007542
SMILES	[Na+].CCCCCCS([O-])(=O)=O
Synonym	sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt
IUPAC Name	sodium hexane-1-sulfonate
InChI Key	QWSZRRAAFHGKCH-UHFFFAOYSA-M
Molecular Formula	C6H13NaO3S

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1-Pentanesulfonic Acid Sodium Salt, Anhydrous (HPLC), Fisher Chemical

CAS: 22767-49-3 Molecular Formula: C5H11NaO3S Molecular Weight (g/mol): 174.19 MDL Number: MFCD00007541,MFCD00149548 InChI Key: ROBLTDOHDSGGDT-UHFFFAOYSA-M Synonym: sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt PubChem CID: 23664617 IUPAC Name: sodium pentane-1-sulfonate SMILES: [Na+].CCCCCS([O-])(=O)=O

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PubChem CID	23664617
CAS	22767-49-3
Molecular Weight (g/mol)	174.19
MDL Number	MFCD00007541,MFCD00149548
SMILES	[Na+].CCCCCS([O-])(=O)=O
Synonym	sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt
IUPAC Name	sodium pentane-1-sulfonate
InChI Key	ROBLTDOHDSGGDT-UHFFFAOYSA-M
Molecular Formula	C5H11NaO3S

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1 Octane Sulfonic Acid Sodium Salt, HPLC Ion Pair Agent, Fisher Chemical™

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M IUPAC Name: sodium octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

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CAS	5324-84-5
Molecular Weight (g/mol)	216.27
MDL Number	MFCD00007544
SMILES	[Na+].CCCCCCCCS([O-])(=O)=O
IUPAC Name	sodium octane-1-sulfonate
InChI Key	HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula	C8H17NaO3S

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Sulfanilic Acid Anhydrous (Crystalline/Certified ACS), Fisher Chemical

CAS: 121-57-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00007886 InChI Key: HVBSAKJJOYLTQU-UHFFFAOYSA-N Synonym: sulfanilic acid,sulphanilic acid,p-aminobenzenesulfonic acid,sulfanilsaeure,aniline-4-sulfonic acid,benzenesulfonic acid, 4-amino,aniline-p-sulfonic acid,aniline-p-sulphonic acid,p-aminophenylsulfonic acid,sulfanilicacid PubChem CID: 8479 ChEBI: CHEBI:27500 IUPAC Name: 4-aminobenzenesulfonic acid SMILES: C1=CC(=CC=C1N)S(=O)(=O)O

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PubChem CID	8479
CAS	121-57-3
Molecular Weight (g/mol)	173.186
ChEBI	CHEBI:27500
MDL Number	MFCD00007886
SMILES	C1=CC(=CC=C1N)S(=O)(=O)O
Synonym	sulfanilic acid,sulphanilic acid,p-aminobenzenesulfonic acid,sulfanilsaeure,aniline-4-sulfonic acid,benzenesulfonic acid, 4-amino,aniline-p-sulfonic acid,aniline-p-sulphonic acid,p-aminophenylsulfonic acid,sulfanilicacid
IUPAC Name	4-aminobenzenesulfonic acid
InChI Key	HVBSAKJJOYLTQU-UHFFFAOYSA-N
Molecular Formula	C6H7NO3S

Sodium 1-pentanesulfonate monohydrate, HPLC grade

CAS: 207605-40-1 Molecular Formula: C5H13NaO4S Molecular Weight (g/mol): 192.205 MDL Number: MFCD00007541 InChI Key: FPQYXAFKHLSWTI-UHFFFAOYSA-M Synonym: sodium pentane-1-sulfonate hydrate,1-pentanesulfonic acid sodium salt monohydrate,sodium 1-pentanesulfonate monohydrate,potassium hydrate pentane-1-sulfonate,sodium 1-pentanesulfonate hydrate,sodium hydrate pentane-1-sulfonate,sodium pentane-1-sulfonate-water 1/1/1,1-pentane sulphonic acid sodium salt monohydrate,1-pentanesulfonic acid sodium salt monohydydrate,sodium 1-pentanesulfonate monohydrate, hplc grade PubChem CID: 23693099 IUPAC Name: sodium;pentane-1-sulfonate;hydrate SMILES: CCCCCS(=O)(=O)[O-].O.[Na+]

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PubChem CID	23693099
CAS	207605-40-1
Molecular Weight (g/mol)	192.205
MDL Number	MFCD00007541
SMILES	CCCCCS(=O)(=O)[O-].O.[Na+]
Synonym	sodium pentane-1-sulfonate hydrate,1-pentanesulfonic acid sodium salt monohydrate,sodium 1-pentanesulfonate monohydrate,potassium hydrate pentane-1-sulfonate,sodium 1-pentanesulfonate hydrate,sodium hydrate pentane-1-sulfonate,sodium pentane-1-sulfonate-water 1/1/1,1-pentane sulphonic acid sodium salt monohydrate,1-pentanesulfonic acid sodium salt monohydydrate,sodium 1-pentanesulfonate monohydrate, hplc grade
IUPAC Name	sodium;pentane-1-sulfonate;hydrate
InChI Key	FPQYXAFKHLSWTI-UHFFFAOYSA-M
Molecular Formula	C5H13NaO4S

Sodium 1-heptanesulfonate monohydrate, 99%

CAS: 207300-90-1 Molecular Formula: C7H17NaO4S Molecular Weight (g/mol): 220.259 MDL Number: MFCD00149550 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc PubChem CID: 23687711 IUPAC Name: sodium;heptane-1-sulfonate;hydrate SMILES: CCCCCCCS(=O)(=O)[O-].O.[Na+]

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PubChem CID	23687711
CAS	207300-90-1
Molecular Weight (g/mol)	220.259
MDL Number	MFCD00149550
SMILES	CCCCCCCS(=O)(=O)[O-].O.[Na+]
Synonym	sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc
IUPAC Name	sodium;heptane-1-sulfonate;hydrate
InChI Key	XWZCREJRXRKIRQ-UHFFFAOYSA-M
Molecular Formula	C7H17NaO4S

Dioctyl sulfosuccinate sodium salt, 96%

CAS: 577-11-7 Molecular Formula: C20H37NaO7S Molecular Weight (g/mol): 444.56 MDL Number: MFCD00012455 InChI Key: APSBXTVYXVQYAB-UHFFFAOYNA-M Synonym: docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin PubChem CID: 23673837 IUPAC Name: sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate SMILES: [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O

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Specifications

PubChem CID	23673837
CAS	577-11-7
Molecular Weight (g/mol)	444.56
MDL Number	MFCD00012455
SMILES	[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
Synonym	docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin
IUPAC Name	sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
InChI Key	APSBXTVYXVQYAB-UHFFFAOYNA-M
Molecular Formula	C20H37NaO7S

tert-Butyldimethylsilyl trifluoromethanesulfonate, 98%

CAS: 69739-34-0 Molecular Formula: C7H15F3O3SSi Molecular Weight (g/mol): 264.33 MDL Number: MFCD00000405 InChI Key: WLLIXJBWWFGEHT-UHFFFAOYSA-N Synonym: tert-butyldimethylsilyl trifluoromethanesulfonate,trifluoromethanesulfonic acid tert-butyldimethylsilyl ester,tbdms triflate,t-butyldimethylsilyl triflate,tert-butyldimethylsilyl trifluoromethanesulphonate,tbdms-otf,tert-butyldimethylsilyl triflate,silane tbm2 triflate,t-butyldimethylsilyltrifluoromethanesulfonate,t-butylmethylsilyl triflate PubChem CID: 123564 IUPAC Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	123564
CAS	69739-34-0
Molecular Weight (g/mol)	264.33
MDL Number	MFCD00000405
SMILES	CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
Synonym	tert-butyldimethylsilyl trifluoromethanesulfonate,trifluoromethanesulfonic acid tert-butyldimethylsilyl ester,tbdms triflate,t-butyldimethylsilyl triflate,tert-butyldimethylsilyl trifluoromethanesulphonate,tbdms-otf,tert-butyldimethylsilyl triflate,silane tbm2 triflate,t-butyldimethylsilyltrifluoromethanesulfonate,t-butylmethylsilyl triflate
IUPAC Name	[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
InChI Key	WLLIXJBWWFGEHT-UHFFFAOYSA-N
Molecular Formula	C7H15F3O3SSi

(3-Methylsulfonylaminomethyl)benzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 850568-39-7 Molecular Formula: C8H12BNO4S Molecular Weight (g/mol): 229.057 MDL Number: MFCD06659817 InChI Key: FJSWJJOLFPIDER-UHFFFAOYSA-N Synonym: 3-methylsulfonamidomethyl phenyl boronic acid,3-methylsulphonylamino methyl benzeneboronic acid,3-methanesulfonylaminomethylphenyl boronic acid,3-methanesulfonylaminomethyl phenylboronic acid,3-methanesulfonylaminomethyl benzeneboronic acid,3-methanesulfonamidomethyl phenylboronic acid,3-methylsulfonylaminomethyl benzeneboronic acid,3-methylsulfonamidomethyl phenylboronic acid,3-methylsulfonamidomethyl phenyl boronicacid,3-methanesulfonamidomethyl phenyl boronic acid PubChem CID: 22309453 IUPAC Name: [3-(methanesulfonamidomethyl)phenyl]boronic acid SMILES: B(C1=CC(=CC=C1)CNS(=O)(=O)C)(O)O

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PubChem CID	22309453
CAS	850568-39-7
Molecular Weight (g/mol)	229.057
MDL Number	MFCD06659817
SMILES	B(C1=CC(=CC=C1)CNS(=O)(=O)C)(O)O
Synonym	3-methylsulfonamidomethyl phenyl boronic acid,3-methylsulphonylamino methyl benzeneboronic acid,3-methanesulfonylaminomethylphenyl boronic acid,3-methanesulfonylaminomethyl phenylboronic acid,3-methanesulfonylaminomethyl benzeneboronic acid,3-methanesulfonamidomethyl phenylboronic acid,3-methylsulfonylaminomethyl benzeneboronic acid,3-methylsulfonamidomethyl phenylboronic acid,3-methylsulfonamidomethyl phenyl boronicacid,3-methanesulfonamidomethyl phenyl boronic acid
IUPAC Name	[3-(methanesulfonamidomethyl)phenyl]boronic acid
InChI Key	FJSWJJOLFPIDER-UHFFFAOYSA-N
Molecular Formula	C8H12BNO4S

Trifluoromethanesulfonamide, 96%

CAS: 421-85-2 Molecular Formula: CH2F3NO2S Molecular Weight (g/mol): 149.09 MDL Number: MFCD00068714 InChI Key: KAKQVSNHTBLJCH-UHFFFAOYSA-N Synonym: trifluoromethanesulphonamide,trifluoromethane sulfonamide,trifluoromethylsulfonamide,1,1,1-trifluoromethanesulfonamide,chembl67511,methanesulfonamide, 1,1,1-trifluoro,1bcd,trifluoromethyl sulfonamide,triflamide,trifluorometanesulfonamide PubChem CID: 79001 IUPAC Name: trifluoromethanesulfonamide SMILES: NS(=O)(=O)C(F)(F)F

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PubChem CID	79001
CAS	421-85-2
Molecular Weight (g/mol)	149.09
MDL Number	MFCD00068714
SMILES	NS(=O)(=O)C(F)(F)F
Synonym	trifluoromethanesulphonamide,trifluoromethane sulfonamide,trifluoromethylsulfonamide,1,1,1-trifluoromethanesulfonamide,chembl67511,methanesulfonamide, 1,1,1-trifluoro,1bcd,trifluoromethyl sulfonamide,triflamide,trifluorometanesulfonamide
IUPAC Name	trifluoromethanesulfonamide
InChI Key	KAKQVSNHTBLJCH-UHFFFAOYSA-N
Molecular Formula	CH2F3NO2S

Fasudil, 98+%

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H-7 dihydrochloride, Thermo Scientific Chemicals

CAS: 108930-17-2 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00036961 InChI Key: OARGPFMFRLLKPF-UHFFFAOYSA-N Synonym: h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride PubChem CID: 73332 ChEBI: CHEBI:82739 IUPAC Name: 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride SMILES: CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

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Specifications

PubChem CID	73332
CAS	108930-17-2
Molecular Weight (g/mol)	364.285
ChEBI	CHEBI:82739
MDL Number	MFCD00036961
SMILES	CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
Synonym	h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride
IUPAC Name	5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride
InChI Key	OARGPFMFRLLKPF-UHFFFAOYSA-N
Molecular Formula	C14H19Cl2N3O2S

BES, 99%

CAS: 10191-18-1 Molecular Formula: C6H15NO5S Molecular Weight (g/mol): 213.25 MDL Number: MFCD00007533 InChI Key: AJTVSSFTXWNIRG-UHFFFAOYSA-N Synonym: n,n-bis 2-hydroxyethyl-2-aminoethanesulfonic acid,bes,ethanesulfonic acid, 2-bis 2-hydroxyethyl amino,2-bis 2-hydroxyethyl amino ethanesulfonic acid,n,n-bis 2-hydroxyethyl taurine,n,n-bis hydroxyethyl-2-aminoethanesulfonic acid,bes buffering agent,taurine, n,n-bis 2-hydroxyethyl,2-bis 2-hydroxyethyl amino-ethanesulfonicacid PubChem CID: 73243 ChEBI: CHEBI:39045 IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid SMILES: OCCN(CCO)CCS(O)(=O)=O

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Specifications

PubChem CID	73243
CAS	10191-18-1
Molecular Weight (g/mol)	213.25
ChEBI	CHEBI:39045
MDL Number	MFCD00007533
SMILES	OCCN(CCO)CCS(O)(=O)=O
Synonym	n,n-bis 2-hydroxyethyl-2-aminoethanesulfonic acid,bes,ethanesulfonic acid, 2-bis 2-hydroxyethyl amino,2-bis 2-hydroxyethyl amino ethanesulfonic acid,n,n-bis 2-hydroxyethyl taurine,n,n-bis hydroxyethyl-2-aminoethanesulfonic acid,bes buffering agent,taurine, n,n-bis 2-hydroxyethyl,2-bis 2-hydroxyethyl amino-ethanesulfonicacid
IUPAC Name	2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid
InChI Key	AJTVSSFTXWNIRG-UHFFFAOYSA-N
Molecular Formula	C6H15NO5S

3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid, 99%

CAS: 68399-80-4 Molecular Formula: C7H17NO6S Molecular Weight (g/mol): 243.274 MDL Number: MFCD00038353 InChI Key: XCBLFURAFHFFJF-UHFFFAOYSA-N Synonym: dipso,3-bis 2-hydroxyethyl amino-2-hydroxypropane-1-sulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,1-propanesulfonic acid, 3-bis 2-hydroxyethyl amino-2-hydroxy,3-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,n,n-bis 2-hydroxyethyl-3-amino-2-hydroxypropanesulfonic acid PubChem CID: 100210 IUPAC Name: 3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid SMILES: C(CO)N(CCO)CC(CS(=O)(=O)O)O

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Specifications

PubChem CID	100210
CAS	68399-80-4
Molecular Weight (g/mol)	243.274
MDL Number	MFCD00038353
SMILES	C(CO)N(CCO)CC(CS(=O)(=O)O)O
Synonym	dipso,3-bis 2-hydroxyethyl amino-2-hydroxypropane-1-sulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,1-propanesulfonic acid, 3-bis 2-hydroxyethyl amino-2-hydroxy,3-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,n,n-bis 2-hydroxyethyl-3-amino-2-hydroxypropanesulfonic acid
IUPAC Name	3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
InChI Key	XCBLFURAFHFFJF-UHFFFAOYSA-N
Molecular Formula	C7H17NO6S

Organic sulfonic acids and derivatives

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