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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Specifications

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

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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Specifications

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

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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Specifications

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

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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Specifications

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

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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Specifications

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

Dysprosium(III) trifluoromethanesulfonate, 98%

CAS: 139177-62-1 Molecular Formula: C3DyF9O9S3 Molecular Weight (g/mol): 609.69 MDL Number: MFCD00209583 InChI Key: XSVCYDUEICANRJ-UHFFFAOYSA-K Synonym: dysprosium iii trifluoromethanesulfonate,tris triflato dysprosium,dy otf 3,dysprosium iii triflate,dysprosium triflate,dysprosium trifluoromethanesulfonate,acmc-20al36,dysprosium 3+ tritriflate,dysprosium tris trifluoromethanesulfonate,dysprosium 3+ ; trifluoromethanesulfonate PubChem CID: 9938788 IUPAC Name: dysprosium(3+);trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Dy+3]

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Specifications

PubChem CID	9938788
CAS	139177-62-1
Molecular Weight (g/mol)	609.69
MDL Number	MFCD00209583
SMILES	C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Dy+3]
Synonym	dysprosium iii trifluoromethanesulfonate,tris triflato dysprosium,dy otf 3,dysprosium iii triflate,dysprosium triflate,dysprosium trifluoromethanesulfonate,acmc-20al36,dysprosium 3+ tritriflate,dysprosium tris trifluoromethanesulfonate,dysprosium 3+ ; trifluoromethanesulfonate
IUPAC Name	dysprosium(3+);trifluoromethanesulfonate
InChI Key	XSVCYDUEICANRJ-UHFFFAOYSA-K
Molecular Formula	C3DyF9O9S3

2-Naphthyl trifluoromethanesulfonate, 97%, Thermo Scientific™

CAS: 3857-83-8 Molecular Formula: C11H7F3O3S Molecular Weight (g/mol): 276.229 MDL Number: MFCD00192341 InChI Key: MDWRQYBWVTXIIJ-UHFFFAOYSA-N Synonym: 2-naphthyl trifluoromethanesulfonate,2-naphthyl triflate,2-naphthyltrifluoromethanesulfonate,2-naphthyltriflate,acmc-1aigh,trifluoromethanesulfonic acid 2-naphthyl ester,methanesulfonic acid, 1,1,1-trifluoro-, 2-naphthalenyl ester,methanesulfonic acid,1,1,1-trifluoro-, 2-naphthalenyl ester PubChem CID: 4546341 IUPAC Name: naphthalen-2-yl trifluoromethanesulfonate SMILES: C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	4546341
CAS	3857-83-8
Molecular Weight (g/mol)	276.229
MDL Number	MFCD00192341
SMILES	C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
Synonym	2-naphthyl trifluoromethanesulfonate,2-naphthyl triflate,2-naphthyltrifluoromethanesulfonate,2-naphthyltriflate,acmc-1aigh,trifluoromethanesulfonic acid 2-naphthyl ester,methanesulfonic acid, 1,1,1-trifluoro-, 2-naphthalenyl ester,methanesulfonic acid,1,1,1-trifluoro-, 2-naphthalenyl ester
IUPAC Name	naphthalen-2-yl trifluoromethanesulfonate
InChI Key	MDWRQYBWVTXIIJ-UHFFFAOYSA-N
Molecular Formula	C11H7F3O3S

Hydroxylamine-O-sulfonic acid, 97%

CAS: 2950-43-8 Molecular Formula: H3NO4S Molecular Weight (g/mol): 113.09 MDL Number: MFCD00011604 InChI Key: DQPBABKTKYNPMH-UHFFFAOYSA-N Synonym: hydroxylamine-o-sulfonic acid,aminooxy sulfonic acid,sulfoperamidic acid,hydroxylamine-o-sulphonic acid,permonosulfamic acid,amidoperoxymonosulfuric acid,aminooxysulfonic acid,amidosulfonic peracid,haos,sulfamic acid n-oxide PubChem CID: 76284 IUPAC Name: amino hydrogen sulfate SMILES: NOS(O)(=O)=O

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Specifications

PubChem CID	76284
CAS	2950-43-8
Molecular Weight (g/mol)	113.09
MDL Number	MFCD00011604
SMILES	NOS(O)(=O)=O
Synonym	hydroxylamine-o-sulfonic acid,aminooxy sulfonic acid,sulfoperamidic acid,hydroxylamine-o-sulphonic acid,permonosulfamic acid,amidoperoxymonosulfuric acid,aminooxysulfonic acid,amidosulfonic peracid,haos,sulfamic acid n-oxide
IUPAC Name	amino hydrogen sulfate
InChI Key	DQPBABKTKYNPMH-UHFFFAOYSA-N
Molecular Formula	H3NO4S

Benzenesulfonic acid isopropyl ester, 95%

CAS: 6214-18-2 Molecular Formula: C9H12O3S Molecular Weight (g/mol): 200.252 MDL Number: MFCD04038771 InChI Key: YQZZXXKFKTWDPY-UHFFFAOYSA-N PubChem CID: 12441430 IUPAC Name: propan-2-yl benzenesulfonate SMILES: CC(C)OS(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	12441430
CAS	6214-18-2
Molecular Weight (g/mol)	200.252
MDL Number	MFCD04038771
SMILES	CC(C)OS(=O)(=O)C1=CC=CC=C1
IUPAC Name	propan-2-yl benzenesulfonate
InChI Key	YQZZXXKFKTWDPY-UHFFFAOYSA-N
Molecular Formula	C9H12O3S

LiChropur™ Sodium 1-pentanesulfonate monohydrate , ≥99.0% (T), MilliporeSigma™ Supelco™

MDL Number: MFCD00149548 Synonym: 1-Pentanesulfonic acid sodium salt

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Specifications

MDL Number	MFCD00149548
Synonym	1-Pentanesulfonic acid sodium salt

Sodium 3-chloro-2-hydroxypropanesulfonate hemihydrate, 98%

CAS: 143218-48-8 Molecular Formula: C3H8ClNaO5S Molecular Weight (g/mol): 214.592 MDL Number: MFCD00149699 InChI Key: ZPFGAXXLEFTBEU-UHFFFAOYSA-M Synonym: sodium 3-chloro-2-hydroxypropanesulphonate hemihydrate,sodium 3-chloro-2-hydroxypropanesulfonate hydrate,3-chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate,sodium 3-chloro-2-hydroxypropane-1-sulfonate hydrate,c3h6clnao4s.0.5h2o,sodium 3-chloro-2-hydroxypropane-1-sulfonate-water 1/1/1,3-chloro-2-hydroxypropanesulfonic acid sodium salt hydrate PubChem CID: 23665651 IUPAC Name: sodium;3-chloro-2-hydroxypropane-1-sulfonate;hydrate SMILES: C(C(CCl)O)S(=O)(=O)[O-].O.[Na+]

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Specifications

PubChem CID	23665651
CAS	143218-48-8
Molecular Weight (g/mol)	214.592
MDL Number	MFCD00149699
SMILES	C(C(CCl)O)S(=O)(=O)[O-].O.[Na+]
Synonym	sodium 3-chloro-2-hydroxypropanesulphonate hemihydrate,sodium 3-chloro-2-hydroxypropanesulfonate hydrate,3-chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate,sodium 3-chloro-2-hydroxypropane-1-sulfonate hydrate,c3h6clnao4s.0.5h2o,sodium 3-chloro-2-hydroxypropane-1-sulfonate-water 1/1/1,3-chloro-2-hydroxypropanesulfonic acid sodium salt hydrate
IUPAC Name	sodium;3-chloro-2-hydroxypropane-1-sulfonate;hydrate
InChI Key	ZPFGAXXLEFTBEU-UHFFFAOYSA-M
Molecular Formula	C3H8ClNaO5S

Triethylsilyl trifluoromethanesulfonate, 98%

CAS: 79271-56-0 Molecular Formula: C7H15F3O3SSi Molecular Weight (g/mol): 264.33 MDL Number: MFCD00000407 InChI Key: STMPXDBGVJZCEX-UHFFFAOYSA-N Synonym: triethylsilyl triflate,triethylsilyl trifluoromethanesulphonate,tes triflate,triethylsilyltriflate,triethylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triethylsilyl ester,1,1,1-triethylsilyl trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, triethylsilyl ester,et3siotf,tesotf PubChem CID: 2733308 IUPAC Name: triethylsilyl trifluoromethanesulfonate SMILES: CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	2733308
CAS	79271-56-0
Molecular Weight (g/mol)	264.33
MDL Number	MFCD00000407
SMILES	CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
Synonym	triethylsilyl triflate,triethylsilyl trifluoromethanesulphonate,tes triflate,triethylsilyltriflate,triethylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triethylsilyl ester,1,1,1-triethylsilyl trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, triethylsilyl ester,et3siotf,tesotf
IUPAC Name	triethylsilyl trifluoromethanesulfonate
InChI Key	STMPXDBGVJZCEX-UHFFFAOYSA-N
Molecular Formula	C7H15F3O3SSi

Thermo Scientific Chemicals Barium diphenylaminesulfonate, pure, indicator grade

CAS: 6211-24-1 Molecular Formula: C24H20BaN2O6S2 Molecular Weight (g/mol): 633.88 MDL Number: MFCD00007497 InChI Key: IVCNVXFNTKXMCA-UHFFFAOYSA-L Synonym: barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ PubChem CID: 80342 IUPAC Name: 4-anilinobenzenesulfonate;barium(2+) SMILES: [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	80342
CAS	6211-24-1
Molecular Weight (g/mol)	633.88
MDL Number	MFCD00007497
SMILES	[Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
Synonym	barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+
IUPAC Name	4-anilinobenzenesulfonate;barium(2+)
InChI Key	IVCNVXFNTKXMCA-UHFFFAOYSA-L
Molecular Formula	C24H20BaN2O6S2

MES Monohydrate, ≥98.5% (Dry Basis), Ultrapure

CAS: 145224-94-8 Molecular Formula: C6H15NO5S Molecular Weight (g/mol): 213.25 MDL Number: MFCD00149409 InChI Key: MIIIXQJBDGSIKL-UHFFFAOYSA-N Synonym: mes monohydrate,2-morpholinoethanesulfonic acid hydrate,mes hydrate,mes buffer hydrate,4-morpholineethanesulfonic acid monohydrate,4-morpholineethanesulfonic acid, monohydrate,2-4-morpholinyl ethanesulfonic acid hydrate,mes hydrate buffer,4-morpholineethanesulfonicacid, hydrate 1:1,mesmonohydrate PubChem CID: 16218417 IUPAC Name: 2-(morpholin-4-yl)ethane-1-sulfonic acid hydrate SMILES: O.OS(=O)(=O)CCN1CCOCC1

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Specifications

PubChem CID	16218417
CAS	145224-94-8
Molecular Weight (g/mol)	213.25
MDL Number	MFCD00149409
SMILES	O.OS(=O)(=O)CCN1CCOCC1
Synonym	mes monohydrate,2-morpholinoethanesulfonic acid hydrate,mes hydrate,mes buffer hydrate,4-morpholineethanesulfonic acid monohydrate,4-morpholineethanesulfonic acid, monohydrate,2-4-morpholinyl ethanesulfonic acid hydrate,mes hydrate buffer,4-morpholineethanesulfonicacid, hydrate 1:1,mesmonohydrate
IUPAC Name	2-(morpholin-4-yl)ethane-1-sulfonic acid hydrate
InChI Key	MIIIXQJBDGSIKL-UHFFFAOYSA-N
Molecular Formula	C6H15NO5S

1,3-Propanediol di-p-toluenesulfonate, 98%, Thermo Scientific Chemicals

CAS: 5469-66-9 Molecular Formula: C17H20O6S2 Molecular Weight (g/mol): 384.46 MDL Number: MFCD00013392 InChI Key: ODVREDGIWSDQFD-UHFFFAOYSA-N Synonym: 1,3-bis tosyloxy propane,propane-1,3-diyl bis 4-methylbenzenesulfonate,1,3-propanediol di-p-toluenesulfonate,1,3-propanediol di-p-tosylate,1,3-propanediol-di-4-tosylate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzene-1-sulfonate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzenesulfonate,propane-1,3-di-tos,acmc-209liv,1,3-propanediol ditosylate PubChem CID: 230370 IUPAC Name: 3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C1=CC=C(C)C=C1

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Specifications

PubChem CID	230370
CAS	5469-66-9
Molecular Weight (g/mol)	384.46
MDL Number	MFCD00013392
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCCOS(=O)(=O)C1=CC=C(C)C=C1
Synonym	1,3-bis tosyloxy propane,propane-1,3-diyl bis 4-methylbenzenesulfonate,1,3-propanediol di-p-toluenesulfonate,1,3-propanediol di-p-tosylate,1,3-propanediol-di-4-tosylate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzene-1-sulfonate,3-4-methylbenzenesulfonyl oxy propyl 4-methylbenzenesulfonate,propane-1,3-di-tos,acmc-209liv,1,3-propanediol ditosylate
IUPAC Name	3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
InChI Key	ODVREDGIWSDQFD-UHFFFAOYSA-N
Molecular Formula	C17H20O6S2

Organic sulfonic acids and derivatives

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