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-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-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

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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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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

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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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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

Ethanesulfonic acid, 96%

CAS: 594-45-6 Molecular Formula: C2H5O3S Molecular Weight (g/mol): 109.12 MDL Number: MFCD00007529 InChI Key: CCIVGXIOQKPBKL-UHFFFAOYSA-M Synonym: ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid PubChem CID: 11668 ChEBI: CHEBI:42465 IUPAC Name: ethanesulfonic acid SMILES: CCS([O-])(=O)=O

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Specifications

PubChem CID	11668
CAS	594-45-6
Molecular Weight (g/mol)	109.12
ChEBI	CHEBI:42465
MDL Number	MFCD00007529
SMILES	CCS([O-])(=O)=O
Synonym	ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid
IUPAC Name	ethanesulfonic acid
InChI Key	CCIVGXIOQKPBKL-UHFFFAOYSA-M
Molecular Formula	C2H5O3S

1-hexanesulfonic acid, sodium salt hydrate, 99%

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

Fasudil monohydrochloride, 99+%

CAS: 105628-07-7 Molecular Formula: C14H18ClN3O2S Molecular Weight (g/mol): 327.827 MDL Number: MFCD00943198 InChI Key: LFVPBERIVUNMGV-UHFFFAOYSA-N Synonym: fasudil hydrochloride,fasudil hcl,eril,at 877 hydrochloride,fasudil monohydrochloride,ha 1077 hydrochloride,unii-sq04n8s7br,5-1,4-diazepan-1-yl sulfonyl isoquinoline hydrochloride,sq04n8s7br PubChem CID: 163751 IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

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Specifications

PubChem CID	163751
CAS	105628-07-7
Molecular Weight (g/mol)	327.827
MDL Number	MFCD00943198
SMILES	C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
Synonym	fasudil hydrochloride,fasudil hcl,eril,at 877 hydrochloride,fasudil monohydrochloride,ha 1077 hydrochloride,unii-sq04n8s7br,5-1,4-diazepan-1-yl sulfonyl isoquinoline hydrochloride,sq04n8s7br
IUPAC Name	5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride
InChI Key	LFVPBERIVUNMGV-UHFFFAOYSA-N
Molecular Formula	C14H18ClN3O2S

Perfluorooctanesulfonamide, 95%

CAS: 754-91-6 Molecular Formula: C₈H₂F₁₇NO₂S Molecular Weight (g/mol): 499.15 InChI Key: RRRXPPIDPYTNJG-UHFFFAOYSA-N Synonym: perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide PubChem CID: 69785 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide SMILES: C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	69785
CAS	754-91-6
Molecular Weight (g/mol)	499.15
SMILES	C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide
IUPAC Name	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
InChI Key	RRRXPPIDPYTNJG-UHFFFAOYSA-N
Molecular Formula	C₈H₂F₁₇NO₂S

(R)-(-)-Glycidyl nosylate, 98%

CAS: 115314-17-5 Molecular Formula: C₉H₉NO₆S Molecular Weight (g/mol): 259.23 MDL Number: MFCD00013436 InChI Key: AIHIHVZYAAMDPM-MRVPVSSYSA-N Synonym: r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r PubChem CID: 146513 IUPAC Name: [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

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Specifications

PubChem CID	146513
CAS	115314-17-5
Molecular Weight (g/mol)	259.23
MDL Number	MFCD00013436
SMILES	C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
Synonym	r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r
IUPAC Name	[(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
InChI Key	AIHIHVZYAAMDPM-MRVPVSSYSA-N
Molecular Formula	C₉H₉NO₆S

(S)-(+)-Glycidyl nosylate, 98%

CAS: 115314-14-2 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.23 MDL Number: MFCD00064582 InChI Key: AIHIHVZYAAMDPM-QMMMGPOBSA-N Synonym: s-+-glycidyl nosylate,s-glycidyl nosylate,s-glycidyl 3-nitrobenzenesulfonate,s-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,s-+-glycidyl 3-nitrobenzenesulfonate,glycidyl 3-nitrobenzenesulfonate,ccris 6394,2s-+-glycidyl-3-nitrobenzenesulfonate,oxiranylmethyl s-3-nitrobenzenesulfonate,2s-oxiran-2-yl methyl 3-nitrobenzenesulfonate PubChem CID: 146490 IUPAC Name: [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: [O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]1CO1

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Specifications

PubChem CID	146490
CAS	115314-14-2
Molecular Weight (g/mol)	259.23
MDL Number	MFCD00064582
SMILES	[O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]1CO1
Synonym	s-+-glycidyl nosylate,s-glycidyl nosylate,s-glycidyl 3-nitrobenzenesulfonate,s-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,s-+-glycidyl 3-nitrobenzenesulfonate,glycidyl 3-nitrobenzenesulfonate,ccris 6394,2s-+-glycidyl-3-nitrobenzenesulfonate,oxiranylmethyl s-3-nitrobenzenesulfonate,2s-oxiran-2-yl methyl 3-nitrobenzenesulfonate
IUPAC Name	[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
InChI Key	AIHIHVZYAAMDPM-QMMMGPOBSA-N
Molecular Formula	C9H9NO6S

3-(N,N-Dimethylpalmitylammonio)propanesulfonate, 98%

CAS: 2281-11-0 Molecular Formula: C21H45NO3S Molecular Weight (g/mol): 391.66 MDL Number: MFCD00036911 InChI Key: TUBRCQBRKJXJEA-UHFFFAOYSA-N Synonym: 3-n,n-dimethylpalmitylammonio propanesulfonate,zwittergent 3-16,3-hexadecyldimethylammonio propane-1-sulfonate,palmityl sulfobetaine,n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-hexadecyl dimethyl ammonio propane-1-sulfonate,3-palmityldimethylammonio propanesulfonate,3-hexadecyldimethylammonio propanesulfonate,3-n,n-dimethylhexadecylammonio propanesulfonate,n-hexadecy-n,n-dimethyl-3-ammonio-1-propanesulfonate PubChem CID: 92176 IUPAC Name: 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O

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Specifications

PubChem CID	92176
CAS	2281-11-0
Molecular Weight (g/mol)	391.66
MDL Number	MFCD00036911
SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O
Synonym	3-n,n-dimethylpalmitylammonio propanesulfonate,zwittergent 3-16,3-hexadecyldimethylammonio propane-1-sulfonate,palmityl sulfobetaine,n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-hexadecyl dimethyl ammonio propane-1-sulfonate,3-palmityldimethylammonio propanesulfonate,3-hexadecyldimethylammonio propanesulfonate,3-n,n-dimethylhexadecylammonio propanesulfonate,n-hexadecy-n,n-dimethyl-3-ammonio-1-propanesulfonate
IUPAC Name	3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
InChI Key	TUBRCQBRKJXJEA-UHFFFAOYSA-N
Molecular Formula	C21H45NO3S

Trimethylsilyl trifluoromethanesulfonate, 99%

CAS: 27607-77-8 Molecular Formula: C4H9F3O3SSi Molecular Weight (g/mol): 222.253 MDL Number: MFCD00000406 InChI Key: FTVLMFQEYACZNP-UHFFFAOYSA-N Synonym: trimethylsilyl triflate,tmsotf,trifluoromethanesulfonic acid trimethylsilyl ester,trimethylsilyl trifluoromethylsulphonate,unii-z84v0cbh9j,methanesulfonic acid, trifluoro-, trimethylsilyl ester,trimethylsilyl trifluoromethylsulfonate,trimethylsllytrifluoromethanesulphonate,trimethylsilyl trifluoromethanesulphonate,trimethylsilyltrifluoromethanesulphonate PubChem CID: 65367 IUPAC Name: trimethylsilyl trifluoromethanesulfonate SMILES: C[Si](C)(C)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	65367
CAS	27607-77-8
Molecular Weight (g/mol)	222.253
MDL Number	MFCD00000406
SMILES	C[Si](C)(C)OS(=O)(=O)C(F)(F)F
Synonym	trimethylsilyl triflate,tmsotf,trifluoromethanesulfonic acid trimethylsilyl ester,trimethylsilyl trifluoromethylsulphonate,unii-z84v0cbh9j,methanesulfonic acid, trifluoro-, trimethylsilyl ester,trimethylsilyl trifluoromethylsulfonate,trimethylsllytrifluoromethanesulphonate,trimethylsilyl trifluoromethanesulphonate,trimethylsilyltrifluoromethanesulphonate
IUPAC Name	trimethylsilyl trifluoromethanesulfonate
InChI Key	FTVLMFQEYACZNP-UHFFFAOYSA-N
Molecular Formula	C4H9F3O3SSi

Sodium 1-nonanesulfonate, 98+%

CAS: 35192-74-6 Molecular Formula: C9H19NaO3S Molecular Weight (g/mol): 230.298 MDL Number: MFCD00025010 InChI Key: RUYRDULZOKULPK-UHFFFAOYSA-M Synonym: sodium nonane-1-sulfonate,sodium 1-nonanesulfonate,1-nonanesulfonic acid sodium salt,1-nonanesulfonic acid, sodium salt,sodium nonylsulfonate,sodium 1-nonanesulphonate,ipc-alks-9,1-eeie>>cea aaeni,c9h19o3s.na,potassium nonane-1-sulfonate PubChem CID: 23664777 IUPAC Name: sodium;nonane-1-sulfonate SMILES: CCCCCCCCCS(=O)(=O)[O-].[Na+]

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Specifications

PubChem CID	23664777
CAS	35192-74-6
Molecular Weight (g/mol)	230.298
MDL Number	MFCD00025010
SMILES	CCCCCCCCCS(=O)(=O)[O-].[Na+]
Synonym	sodium nonane-1-sulfonate,sodium 1-nonanesulfonate,1-nonanesulfonic acid sodium salt,1-nonanesulfonic acid, sodium salt,sodium nonylsulfonate,sodium 1-nonanesulphonate,ipc-alks-9,1-eeie>>cea aaeni,c9h19o3s.na,potassium nonane-1-sulfonate
IUPAC Name	sodium;nonane-1-sulfonate
InChI Key	RUYRDULZOKULPK-UHFFFAOYSA-M
Molecular Formula	C9H19NaO3S

1-Butanesulfonic Acid, Sodium Salt, BAKER™, J.T. Baker™

CAS: 2386-54-1 Molecular Formula: C4H9NaO3S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007540 InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M Synonym: sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot PubChem CID: 4096517 IUPAC Name: sodium butane-1-sulfonate SMILES: [Na+].CCCCS([O-])(=O)=O

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Specifications

PubChem CID	4096517
CAS	2386-54-1
Molecular Weight (g/mol)	160.16
MDL Number	MFCD00007540
SMILES	[Na+].CCCCS([O-])(=O)=O
Synonym	sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot
IUPAC Name	sodium butane-1-sulfonate
InChI Key	XQCHMGAOAWZUPI-UHFFFAOYSA-M
Molecular Formula	C4H9NaO3S

Organic sulfonic acids and derivatives

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