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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

PubChem CID 23672332
CAS 22767-50-6
MDL Number MFCD00007543
InChI Key REFMEZARFCPESH-UHFFFAOYSA-M
Molecular Formula C7H15NaO3S
2
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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

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
3
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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

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
4
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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

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
5
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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

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
6

Benzenesulfonic acid, 90%, technical

CAS: 98-11-3 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.17 MDL Number: MFCD00011689 InChI Key: SRSXLGNVWSONIS-UHFFFAOYSA-N Synonym: benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech PubChem CID: 7371 ChEBI: CHEBI:64455 IUPAC Name: benzenesulfonic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)O

PubChem CID 7371
CAS 98-11-3
Molecular Weight (g/mol) 158.17
ChEBI CHEBI:64455
MDL Number MFCD00011689
SMILES C1=CC=C(C=C1)S(=O)(=O)O
Synonym benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech
IUPAC Name benzenesulfonic acid
InChI Key SRSXLGNVWSONIS-UHFFFAOYSA-N
Molecular Formula C6H6O3S
7

1-Octanesulfonic acid, sodium salt, HPLC grade

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

PubChem CID 23669624
CAS 5324-84-5
Molecular Weight (g/mol) 216.27
MDL Number MFCD00007544
SMILES [Na+].CCCCCCCCS([O-])(=O)=O
Synonym sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8
InChI Key HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula C8H17NaO3S
8

1,2-Ethanedisulfonic acid dihydrate, 98%

CAS: 5982-56-9 Molecular Formula: C2H6O6S2·2H2O Molecular Weight (g/mol): 226.22 MDL Number: MFCD00069901 InChI Key: DSGUSEBCDAKBCM-UHFFFAOYSA-N Synonym: 1,2-ethanedisulfonic acid dihydrate,unii-0j653yp17s,1,2-ethanedisulfonic acid, dihydrate,1,2-ethanedisulfonic acid dihydrate mi,1,2-ethanedisulfonic acid, hydrate 1:2,ethane disulfonic acid dihydrate,ethane-1,2-disulfonic acid dihydrate,ethane-1,2-disulfonic acid-water 1/2 PubChem CID: 57346009 IUPAC Name: ethane-1,2-disulfonic acid;dihydrate SMILES: C(CS(=O)(=O)O)S(=O)(=O)O.O.O

PubChem CID 57346009
CAS 5982-56-9
Molecular Weight (g/mol) 226.22
MDL Number MFCD00069901
SMILES C(CS(=O)(=O)O)S(=O)(=O)O.O.O
Synonym 1,2-ethanedisulfonic acid dihydrate,unii-0j653yp17s,1,2-ethanedisulfonic acid, dihydrate,1,2-ethanedisulfonic acid dihydrate mi,1,2-ethanedisulfonic acid, hydrate 1:2,ethane disulfonic acid dihydrate,ethane-1,2-disulfonic acid dihydrate,ethane-1,2-disulfonic acid-water 1/2
IUPAC Name ethane-1,2-disulfonic acid;dihydrate
InChI Key DSGUSEBCDAKBCM-UHFFFAOYSA-N
Molecular Formula C2H6O6S2·2H2O
9

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

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
10

Methyl methanesulfonate, 99%

CAS: 66-27-3 Molecular Formula: C2H6O3S Molecular Weight (g/mol): 110.127 MDL Number: MFCD00007557 InChI Key: MBABOKRGFJTBAE-UHFFFAOYSA-N Synonym: methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate PubChem CID: 4156 ChEBI: CHEBI:25255 IUPAC Name: methyl methanesulfonate SMILES: COS(=O)(=O)C

PubChem CID 4156
CAS 66-27-3
Molecular Weight (g/mol) 110.127
ChEBI CHEBI:25255
MDL Number MFCD00007557
SMILES COS(=O)(=O)C
Synonym methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate
IUPAC Name methyl methanesulfonate
InChI Key MBABOKRGFJTBAE-UHFFFAOYSA-N
Molecular Formula C2H6O3S
11

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-]

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
12

Sodium 2-bromoethanesulfonate, 98%

CAS: 4263-52-9 Molecular Formula: C2H4BrNaO3S Molecular Weight (g/mol): 211.005 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+]

PubChem CID 23666797
CAS 4263-52-9
Molecular Weight (g/mol) 211.005
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
13

Triisopropylsilyl-trifluoromethanesulfonate, 97%

CAS: 80522-42-5 Molecular Formula: C10H21F3O3SSi Molecular Weight (g/mol): 306.42 MDL Number: MFCD00009913 InChI Key: LHJCZOXMCGQVDQ-UHFFFAOYSA-N Synonym: triisopropylsilyl trifluoromethanesulfonate,triisopropylsilyl triflate,triisopropylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triisopropylsilyl ester,tips-otf,tips triflate,wacker silane ip3-triflate,triisopropylsilyl trifluoromethanesulphonate,triisopropylsilyl-trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, tris 1-methylethyl silyl ester PubChem CID: 2724529 IUPAC Name: tri(propan-2-yl)silyl trifluoromethanesulfonate SMILES: CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F

PubChem CID 2724529
CAS 80522-42-5
Molecular Weight (g/mol) 306.42
MDL Number MFCD00009913
SMILES CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
Synonym triisopropylsilyl trifluoromethanesulfonate,triisopropylsilyl triflate,triisopropylsilyltrifluoromethanesulfonate,trifluoromethanesulfonic acid triisopropylsilyl ester,tips-otf,tips triflate,wacker silane ip3-triflate,triisopropylsilyl trifluoromethanesulphonate,triisopropylsilyl-trifluoromethanesulfonate,methanesulfonic acid, trifluoro-, tris 1-methylethyl silyl ester
IUPAC Name tri(propan-2-yl)silyl trifluoromethanesulfonate
InChI Key LHJCZOXMCGQVDQ-UHFFFAOYSA-N
Molecular Formula C10H21F3O3SSi
14

2-Amino-5-chlorobenzenesulfonic acid, 97%

CAS: 133-74-4 Molecular Formula: C6H6ClNO3S Molecular Weight (g/mol): 207.63 MDL Number: MFCD00035776 InChI Key: ZCGVPUAAMCMLTM-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzenesulphonic acid,5-chloroorthanilic acid,4-chloroaniline-2-sulfonic acid,4-chloro-2-sulphoaniline,p-chloranilin-o-sulfosaure,p-chloroaniline-2-sulphonic acid,2-amino-5-chloro-benzenesulfonic acid,benzenesulfonic acid,2-amino-5-chloro,2-amino-5-chlorobenzene-1-sulfonic acid,2-azanyl-5-chloranyl-benzenesulfonic acid PubChem CID: 8628 IUPAC Name: 2-amino-5-chlorobenzenesulfonic acid SMILES: NC1=CC=C(Cl)C=C1S(O)(=O)=O

PubChem CID 8628
CAS 133-74-4
Molecular Weight (g/mol) 207.63
MDL Number MFCD00035776
SMILES NC1=CC=C(Cl)C=C1S(O)(=O)=O
Synonym 2-amino-5-chlorobenzenesulphonic acid,5-chloroorthanilic acid,4-chloroaniline-2-sulfonic acid,4-chloro-2-sulphoaniline,p-chloranilin-o-sulfosaure,p-chloroaniline-2-sulphonic acid,2-amino-5-chloro-benzenesulfonic acid,benzenesulfonic acid,2-amino-5-chloro,2-amino-5-chlorobenzene-1-sulfonic acid,2-azanyl-5-chloranyl-benzenesulfonic acid
IUPAC Name 2-amino-5-chlorobenzenesulfonic acid
InChI Key ZCGVPUAAMCMLTM-UHFFFAOYSA-N
Molecular Formula C6H6ClNO3S
15

Sodium 4-hydroxybenzenesulfonate dihydrate, 97%

CAS: 10580-19-5 Molecular Formula: C6H5O4S Molecular Weight (g/mol): 173.16 MDL Number: MFCD00044734,MFCD00150724 InChI Key: FEPBITJSIHRMRT-UHFFFAOYSA-M Synonym: sodium 4-hydroxybenzenesulfonate dihydrate,unii-5nh81n759q,phenol-4-sulfonic acid sodium salt dihydrate,4-hydroxybenzenesulfonic acid sodium salt dihydrate,benzenesulfonic acid, 4-hydroxy-, monosodium salt, dihydrate,4-hydroxybenzenesulfonic acid sodium salt,sodium 4-hydroxybenzene-1-sulfonate dihydrate,phenolsulphonate sodium usp,acmc-2098hs,sodium p-phenolsulfonate dihydrate PubChem CID: 23666329 IUPAC Name: sodium;4-hydroxybenzenesulfonate;dihydrate SMILES: OC1=CC=C(C=C1)S([O-])(=O)=O

PubChem CID 23666329
CAS 10580-19-5
Molecular Weight (g/mol) 173.16
MDL Number MFCD00044734,MFCD00150724
SMILES OC1=CC=C(C=C1)S([O-])(=O)=O
Synonym sodium 4-hydroxybenzenesulfonate dihydrate,unii-5nh81n759q,phenol-4-sulfonic acid sodium salt dihydrate,4-hydroxybenzenesulfonic acid sodium salt dihydrate,benzenesulfonic acid, 4-hydroxy-, monosodium salt, dihydrate,4-hydroxybenzenesulfonic acid sodium salt,sodium 4-hydroxybenzene-1-sulfonate dihydrate,phenolsulphonate sodium usp,acmc-2098hs,sodium p-phenolsulfonate dihydrate
IUPAC Name sodium;4-hydroxybenzenesulfonate;dihydrate
InChI Key FEPBITJSIHRMRT-UHFFFAOYSA-M
Molecular Formula C6H5O4S