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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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

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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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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-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

Formaldehyde sodium bisulfite addition compound, 95%

CAS: 870-72-4 Molecular Formula: CH3NaO4S Molecular Weight (g/mol): 134.081 MDL Number: MFCD00044664 InChI Key: UOULCEYHQNCFFH-UHFFFAOYSA-M Synonym: sodium hydroxymethanesulfonate,formaldehyde sodium bisulfite,formbis,sodium formaldehyde bisulfite,sodium hydroxymethanesulphonate,methanesulfonic acid, hydroxy-, monosodium salt,sodium hydroxymethane sulfonate,sodium formaldehydebisulfite,unii-i566kha05f,methylolsulfonic acid sodium salt PubChem CID: 2723822 IUPAC Name: sodium;hydroxymethanesulfonate SMILES: C(O)S(=O)(=O)[O-].[Na+]

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PubChem CID	2723822
CAS	870-72-4
Molecular Weight (g/mol)	134.081
MDL Number	MFCD00044664
SMILES	C(O)S(=O)(=O)[O-].[Na+]
Synonym	sodium hydroxymethanesulfonate,formaldehyde sodium bisulfite,formbis,sodium formaldehyde bisulfite,sodium hydroxymethanesulphonate,methanesulfonic acid, hydroxy-, monosodium salt,sodium hydroxymethane sulfonate,sodium formaldehydebisulfite,unii-i566kha05f,methylolsulfonic acid sodium salt
IUPAC Name	sodium;hydroxymethanesulfonate
InChI Key	UOULCEYHQNCFFH-UHFFFAOYSA-M
Molecular Formula	CH3NaO4S

1,4-Butane sultone, 99+%

CAS: 1633-83-6 Molecular Formula: C4H8O3S Molecular Weight (g/mol): 136.17 MDL Number: MFCD00006584 InChI Key: MHYFEEDKONKGEB-UHFFFAOYSA-N Synonym: 1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone PubChem CID: 15411 IUPAC Name: oxathiane 2,2-dioxide SMILES: O=S1(=O)CCCCO1

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PubChem CID	15411
CAS	1633-83-6
Molecular Weight (g/mol)	136.17
MDL Number	MFCD00006584
SMILES	O=S1(=O)CCCCO1
Synonym	1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone
IUPAC Name	oxathiane 2,2-dioxide
InChI Key	MHYFEEDKONKGEB-UHFFFAOYSA-N
Molecular Formula	C4H8O3S

Ethyl p-toluenesulfonate, 98%

CAS: 80-40-0 Molecular Formula: C₉H₁₂O₃S Molecular Weight (g/mol): 200.25 MDL Number: MFCD00009100 InChI Key: VRZVPALEJCLXPR-UHFFFAOYSA-N Synonym: ethyl p-toluenesulfonate,ethyl tosylate,ethyl p-tosylate,ethyl p-ts,benzenesulfonic acid, 4-methyl-, ethyl ester,ethyl p-methylbenzenesulfonate,ethyl-p-toluenesulfonate,p-toluenesulfonic acid, ethyl ester,ethyl pts,p-toluolsulfonsaeure aethyl ester PubChem CID: 6638 IUPAC Name: ethyl 4-methylbenzenesulfonate SMILES: CCOS(=O)(=O)C1=CC=C(C=C1)C

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PubChem CID	6638
CAS	80-40-0
Molecular Weight (g/mol)	200.25
MDL Number	MFCD00009100
SMILES	CCOS(=O)(=O)C1=CC=C(C=C1)C
Synonym	ethyl p-toluenesulfonate,ethyl tosylate,ethyl p-tosylate,ethyl p-ts,benzenesulfonic acid, 4-methyl-, ethyl ester,ethyl p-methylbenzenesulfonate,ethyl-p-toluenesulfonate,p-toluenesulfonic acid, ethyl ester,ethyl pts,p-toluolsulfonsaeure aethyl ester
IUPAC Name	ethyl 4-methylbenzenesulfonate
InChI Key	VRZVPALEJCLXPR-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂O₃S

1,3-Propane sultone, 97%

CAS: 1120-71-4 Molecular Formula: C3H6O3S Molecular Weight (g/mol): 122.14 MDL Number: MFCD00005355 InChI Key: FSSPGSAQUIYDCN-UHFFFAOYSA-N Synonym: 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9 PubChem CID: 14264 ChEBI: CHEBI:82370 IUPAC Name: oxathiolane 2,2-dioxide SMILES: O=S1(=O)CCCO1

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PubChem CID	14264
CAS	1120-71-4
Molecular Weight (g/mol)	122.14
ChEBI	CHEBI:82370
MDL Number	MFCD00005355
SMILES	O=S1(=O)CCCO1
Synonym	1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9
IUPAC Name	oxathiolane 2,2-dioxide
InChI Key	FSSPGSAQUIYDCN-UHFFFAOYSA-N
Molecular Formula	C3H6O3S

3-(N,N-Dimethylmyristylammonio)propanesulfonate, 97%

CAS: 14933-09-6 Molecular Formula: C₁₉H₄₁NO₃S Molecular Weight (g/mol): 363.61 MDL Number: MFCD00036910 InChI Key: BHATUINFZWUDIX-UHFFFAOYSA-N Synonym: myristyl sulfobetaine,zwittergent 3-14,n-tetradecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-dimethyl tetradecyl ammonio propane-1-sulfonate,3-n,n-dimethylmyristylammonio propanesulfonate,dimethyl 3-sulphonatopropyl tetradecylammonium,zwittergent™ 3-14 detergent,3-myristyldimethylammonio propanesulfonate,3-n,n-dimethyltetradecylammonio propanesulfonate PubChem CID: 84705 ChEBI: CHEBI:10129 IUPAC Name: 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

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PubChem CID	84705
CAS	14933-09-6
Molecular Weight (g/mol)	363.61
ChEBI	CHEBI:10129
MDL Number	MFCD00036910
SMILES	CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Synonym	myristyl sulfobetaine,zwittergent 3-14,n-tetradecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-dimethyl tetradecyl ammonio propane-1-sulfonate,3-n,n-dimethylmyristylammonio propanesulfonate,dimethyl 3-sulphonatopropyl tetradecylammonium,zwittergent™ 3-14 detergent,3-myristyldimethylammonio propanesulfonate,3-n,n-dimethyltetradecylammonio propanesulfonate
IUPAC Name	3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate
InChI Key	BHATUINFZWUDIX-UHFFFAOYSA-N
Molecular Formula	C₁₉H₄₁NO₃S

1-Hexanesulfonic acid, sodium salt hydrate, 98%, HPLC grade

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

N-Decyl-N,N-dimethyl-3-ammonio-1-propanesulfonate, 98%

CAS: 15163-36-7 Molecular Formula: C15H33NO3S Molecular Weight (g/mol): 307.49 MDL Number: MFCD00036908 InChI Key: WKALLSVICJPZTM-UHFFFAOYSA-N Synonym: 3-decyldimethylammonio propane-1-sulfonate,n-decyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,sulfobetaine 10,caprylyl sulfobetaine,3-decyldimethylammonio propanesulfonate,zwittergent 3-10 detergent,capryl sultaine,zwittergent 310,3-decyl dimethyl ammonio propane-1-sulfonate,3-decyldimethylamino propanesulfonic acid PubChem CID: 161111 IUPAC Name: 3-[decyl(dimethyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O

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PubChem CID	161111
CAS	15163-36-7
Molecular Weight (g/mol)	307.49
MDL Number	MFCD00036908
SMILES	CCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O
Synonym	3-decyldimethylammonio propane-1-sulfonate,n-decyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,sulfobetaine 10,caprylyl sulfobetaine,3-decyldimethylammonio propanesulfonate,zwittergent 3-10 detergent,capryl sultaine,zwittergent 310,3-decyl dimethyl ammonio propane-1-sulfonate,3-decyldimethylamino propanesulfonic acid
IUPAC Name	3-[decyl(dimethyl)azaniumyl]propane-1-sulfonate
InChI Key	WKALLSVICJPZTM-UHFFFAOYSA-N
Molecular Formula	C15H33NO3S

2-Bromoethanesulfonic acid, sodium salt, 98%

CAS: 4263-52-9 Molecular Formula: C₂H₄BrNaO₃S Molecular Weight (g/mol): 211.01 MDL Number: MFCD00007530 InChI Key: HNFOAHXBHLWKNF-UHFFFAOYSA-M Synonym: sodium 2-bromoethanesulfonate,2-bromoethanesulfonic acid sodium salt,sodium 2-bromoethanesulphonate,2-bromoethanesulfonic acid, sodium salt,sodium bromoethylsulfonate,ethanesulfonic acid, 2-bromo-, sodium salt,ethanesulfonic acid, 2-bromo-, sodium salt 1:1,sodium 2-bromoethane sulfonate,2-bromoethanesulfonic acid sodium,natrium-2-bromethansulfonat PubChem CID: 23666797 IUPAC Name: sodium;2-bromoethanesulfonate SMILES: C(CBr)S(=O)(=O)[O-].[Na+]

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PubChem CID	23666797
CAS	4263-52-9
Molecular Weight (g/mol)	211.01
MDL Number	MFCD00007530
SMILES	C(CBr)S(=O)(=O)[O-].[Na+]
Synonym	sodium 2-bromoethanesulfonate,2-bromoethanesulfonic acid sodium salt,sodium 2-bromoethanesulphonate,2-bromoethanesulfonic acid, sodium salt,sodium bromoethylsulfonate,ethanesulfonic acid, 2-bromo-, sodium salt,ethanesulfonic acid, 2-bromo-, sodium salt 1:1,sodium 2-bromoethane sulfonate,2-bromoethanesulfonic acid sodium,natrium-2-bromethansulfonat
IUPAC Name	sodium;2-bromoethanesulfonate
InChI Key	HNFOAHXBHLWKNF-UHFFFAOYSA-M
Molecular Formula	C₂H₄BrNaO₃S

Silver trifluoromethanesulfonate, 99+%

CAS: 2923-28-6 Molecular Formula: CAgF3O3S Molecular Weight (g/mol): 256.93 MDL Number: MFCD00013226 InChI Key: QRUBYZBWAOOHSV-UHFFFAOYSA-M Synonym: silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate PubChem CID: 76223 IUPAC Name: silver;trifluoromethanesulfonate SMILES: [Ag+].[O-]S(=O)(=O)C(F)(F)F

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PubChem CID	76223
CAS	2923-28-6
Molecular Weight (g/mol)	256.93
MDL Number	MFCD00013226
SMILES	[Ag+].[O-]S(=O)(=O)C(F)(F)F
Synonym	silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate
IUPAC Name	silver;trifluoromethanesulfonate
InChI Key	QRUBYZBWAOOHSV-UHFFFAOYSA-M
Molecular Formula	CAgF3O3S

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

Organic sulfonic acids and derivatives

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