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-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

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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

Nickel(II) trifluoromethanesulfonate, 96%, Thermo Scientific Chemicals

CAS: 60871-84-3 Molecular Formula: C2F6NiO6S2 Molecular Weight (g/mol): 356.82 MDL Number: MFCD00673740 InChI Key: KVRSDIJOUNNFMZ-UHFFFAOYSA-L Synonym: nickel ii trifluoromethanesulfonate,nickel ii triflate,nickel 2+ ditriflate,trifluoromethanesulfonic acid nickel ii salt,nickel triflate,acmc-209mmw,ni otf 2,nickelous trifluoromethanesulfonate,nickel 2+ ion ditriflate PubChem CID: 9820095 IUPAC Name: nickel(2+);trifluoromethanesulfonate SMILES: [Ni++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	9820095
CAS	60871-84-3
Molecular Weight (g/mol)	356.82
MDL Number	MFCD00673740
SMILES	[Ni++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
Synonym	nickel ii trifluoromethanesulfonate,nickel ii triflate,nickel 2+ ditriflate,trifluoromethanesulfonic acid nickel ii salt,nickel triflate,acmc-209mmw,ni otf 2,nickelous trifluoromethanesulfonate,nickel 2+ ion ditriflate
IUPAC Name	nickel(2+);trifluoromethanesulfonate
InChI Key	KVRSDIJOUNNFMZ-UHFFFAOYSA-L
Molecular Formula	C2F6NiO6S2

Methyl benzenesulfonate, 99%

CAS: 80-18-2 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00014737 InChI Key: CZXGXYBOQYQXQD-UHFFFAOYSA-N Synonym: benzenesulfonic acid, methyl ester,methyl benzenesulphonate,methyl besylate,methylbenzenesulfonate,ccris 9156,benzenesulfonic acid methyl ester,methyl benzene sulfonate,methyl ester of benzenesulphonic acid,methylbenzene sulfonate,pubchem22730 PubChem CID: 6630 IUPAC Name: methyl benzenesulfonate SMILES: COS(=O)(=O)C1=CC=CC=C1

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PubChem CID	6630
CAS	80-18-2
Molecular Weight (g/mol)	172.20
MDL Number	MFCD00014737
SMILES	COS(=O)(=O)C1=CC=CC=C1
Synonym	benzenesulfonic acid, methyl ester,methyl benzenesulphonate,methyl besylate,methylbenzenesulfonate,ccris 9156,benzenesulfonic acid methyl ester,methyl benzene sulfonate,methyl ester of benzenesulphonic acid,methylbenzene sulfonate,pubchem22730
IUPAC Name	methyl benzenesulfonate
InChI Key	CZXGXYBOQYQXQD-UHFFFAOYSA-N
Molecular Formula	C7H8O3S

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

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

Benzenesulfonic acid, tech. ca 75% w/w aq. soln.

CAS: 98-11-3 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.171 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

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PubChem CID	7371
CAS	98-11-3
Molecular Weight (g/mol)	158.171
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

Lanthanum trifluoromethanesulfonate, anhydrous, 99%

CAS: 52093-26-2 Molecular Formula: C3F9LaO9S3 Molecular Weight (g/mol): 586.095 MDL Number: MFCD00077560 InChI Key: WGJJZRVGLPOKQT-UHFFFAOYSA-K Synonym: lanthanum iii trifluoromethanesulfonate,lanthanum triflate,lanthanum trifluoromethanesulfonate,la otf 3,lanthanum iii triflate,lanthanum tris trifluoromethanesulfonate,lanthanum 3+ tritriflate,lanthanum 3+ ; trifluoromethanesulfonate,trifluoromethanesulfonic acid lanthanum salt,tris trifluoromethanesulfonato lanthanum PubChem CID: 2733938 IUPAC Name: lanthanum(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-].[La+3]

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Specifications

PubChem CID	2733938
CAS	52093-26-2
Molecular Weight (g/mol)	586.095
MDL Number	MFCD00077560
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-].[La+3]
Synonym	lanthanum iii trifluoromethanesulfonate,lanthanum triflate,lanthanum trifluoromethanesulfonate,la otf 3,lanthanum iii triflate,lanthanum tris trifluoromethanesulfonate,lanthanum 3+ tritriflate,lanthanum 3+ ; trifluoromethanesulfonate,trifluoromethanesulfonic acid lanthanum salt,tris trifluoromethanesulfonato lanthanum
IUPAC Name	lanthanum(3+);trifluoromethanesulfonate
InChI Key	WGJJZRVGLPOKQT-UHFFFAOYSA-K
Molecular Formula	C3F9LaO9S3

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

Triethylsilyl trifluoromethanesulfonate, 99%

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

Cerium(III) trifluoromethanesulfonate, 98%

CAS: 76089-77-5 Molecular Formula: C3CeF9O9S3 Molecular Weight (g/mol): 587.31 MDL Number: MFCD02093899 InChI Key: PHSMPGGNMIPKTH-UHFFFAOYSA-K Synonym: cerium iii trifluoromethanesulfonate,cerium iii triflate,trifluoromethanesulfonic acid cerium iii salt,cerium trifluoromethanesulfonate,cerous triflate,ce otf 3,3cf3o3s.ce,acmc-209p1w,ksc491c9f PubChem CID: 2733941 IUPAC Name: cerium(3+);trifluoromethanesulfonate SMILES: [Ce+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	2733941
CAS	76089-77-5
Molecular Weight (g/mol)	587.31
MDL Number	MFCD02093899
SMILES	[Ce+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
Synonym	cerium iii trifluoromethanesulfonate,cerium iii triflate,trifluoromethanesulfonic acid cerium iii salt,cerium trifluoromethanesulfonate,cerous triflate,ce otf 3,3cf3o3s.ce,acmc-209p1w,ksc491c9f
IUPAC Name	cerium(3+);trifluoromethanesulfonate
InChI Key	PHSMPGGNMIPKTH-UHFFFAOYSA-K
Molecular Formula	C3CeF9O9S3

Potassium methanesulfonate, 99%

CAS: 2386-56-3 Molecular Formula: CH3KO3S Molecular Weight (g/mol): 134.19 MDL Number: MFCD00070544 InChI Key: XWIJIXWOZCRYEL-UHFFFAOYSA-M Synonym: potassium methanesulfonate,methanesulfonic acid, potassium salt,potassium mesylate,potassium methylsulfonate,potassium methyl sulfonate,potassium methanesulphonate,unii-s99ib3em17,methanesulfonic acid potassium salt,methanesulfonic acid,potassium salt 1:1,methanesulfonic acid, potassium salt 1:1 PubChem CID: 23666501 IUPAC Name: potassium;methanesulfonate SMILES: CS(=O)(=O)[O-].[K+]

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Specifications

PubChem CID	23666501
CAS	2386-56-3
Molecular Weight (g/mol)	134.19
MDL Number	MFCD00070544
SMILES	CS(=O)(=O)[O-].[K+]
Synonym	potassium methanesulfonate,methanesulfonic acid, potassium salt,potassium mesylate,potassium methylsulfonate,potassium methyl sulfonate,potassium methanesulphonate,unii-s99ib3em17,methanesulfonic acid potassium salt,methanesulfonic acid,potassium salt 1:1,methanesulfonic acid, potassium salt 1:1
IUPAC Name	potassium;methanesulfonate
InChI Key	XWIJIXWOZCRYEL-UHFFFAOYSA-M
Molecular Formula	CH3KO3S

Organic sulfonic acids and derivatives

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