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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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-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 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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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

Bismuth(III) trifluoromethanesulfonate, 99%

CAS: 88189-03-1 Molecular Formula: C3BiF9O9S3 Molecular Weight (g/mol): 656.17 MDL Number: MFCD02093669 InChI Key: NYENCOMLZDQKNH-UHFFFAOYSA-K Synonym: bismuth iii trifluoromethanesulfonate,bismuth triflate,bismuth trifluoromethanesulfonate,bismuth 3+ triflate,bismuth triflate mi,bismuth 3+ trifluoromethanesulfonate,bismuth tris trifluoromethanesulfonate,bismuth iii triflate,bismuth 3+ ion tritriflate PubChem CID: 9917655 IUPAC Name: bismuth;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-].[Bi+3]

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PubChem CID	9917655
CAS	88189-03-1
Molecular Weight (g/mol)	656.17
MDL Number	MFCD02093669
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-].[Bi+3]
Synonym	bismuth iii trifluoromethanesulfonate,bismuth triflate,bismuth trifluoromethanesulfonate,bismuth 3+ triflate,bismuth triflate mi,bismuth 3+ trifluoromethanesulfonate,bismuth tris trifluoromethanesulfonate,bismuth iii triflate,bismuth 3+ ion tritriflate
IUPAC Name	bismuth;trifluoromethanesulfonate
InChI Key	NYENCOMLZDQKNH-UHFFFAOYSA-K
Molecular Formula	C3BiF9O9S3

Sodium 3-nitrobenzenesulfonate, 98%, water <2%

CAS: 127-68-4 Molecular Formula: C6H4NNaO5S Molecular Weight (g/mol): 225.15 MDL Number: MFCD00007490 InChI Key: LJRGBERXYNQPJI-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 PubChem CID: 31389 IUPAC Name: sodium;3-nitrobenzenesulfonate SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

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PubChem CID	31389
CAS	127-68-4
Molecular Weight (g/mol)	225.15
MDL Number	MFCD00007490
SMILES	C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
Synonym	sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6
IUPAC Name	sodium;3-nitrobenzenesulfonate
InChI Key	LJRGBERXYNQPJI-UHFFFAOYSA-M
Molecular Formula	C6H4NNaO5S

Sodium vinylsulfonate, tech. ca 25% aq. soln.

CAS: 3039-83-6 Molecular Formula: C2H3NaO3S Molecular Weight (g/mol): 130.09 MDL Number: MFCD00007520 InChI Key: BWYYYTVSBPRQCN-UHFFFAOYSA-M Synonym: sodium ethenesulfonate,sodium vinylsulfonate,ethenesulfonic acid, sodium salt,sodium ethylenesulfonate,sodium vinyl sulfonate,sodium ethylenesulphonate,sodium apolate,unii-f7k3l38z7b,sodium ethenesulfonate in h2o,lyapolate sodium usan PubChem CID: 3270262 IUPAC Name: sodium;ethenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C=C

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Specifications

PubChem CID	3270262
CAS	3039-83-6
Molecular Weight (g/mol)	130.09
MDL Number	MFCD00007520
SMILES	[Na+].[O-]S(=O)(=O)C=C
Synonym	sodium ethenesulfonate,sodium vinylsulfonate,ethenesulfonic acid, sodium salt,sodium ethylenesulfonate,sodium vinyl sulfonate,sodium ethylenesulphonate,sodium apolate,unii-f7k3l38z7b,sodium ethenesulfonate in h2o,lyapolate sodium usan
IUPAC Name	sodium;ethenesulfonate
InChI Key	BWYYYTVSBPRQCN-UHFFFAOYSA-M
Molecular Formula	C2H3NaO3S

1-Heptanesulfonic acid sodium salt monohydrate, HPLC grade

CAS: 207300-90-1 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc PubChem CID: 23687711 IUPAC Name: sodium;heptane-1-sulfonate;hydrate SMILES: CCCCCCCS(=O)(=O)[O-].O.[Na+]

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PubChem CID	23687711
CAS	207300-90-1
SMILES	CCCCCCCS(=O)(=O)[O-].O.[Na+]
Synonym	sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc
IUPAC Name	sodium;heptane-1-sulfonate;hydrate
InChI Key	XWZCREJRXRKIRQ-UHFFFAOYSA-M

1-Octanesulfonic Acid, Sodium Salt Anhydrous, HPLC Grade, Thermo Scientific Chemicals

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 IUPAC Name: sodium octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

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Specifications

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
IUPAC Name	sodium octane-1-sulfonate
InChI Key	HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula	C8H17NaO3S

1-(Methylsulfonyl)piperazine, 97%

CAS: 55276-43-2 Molecular Formula: C5H13N2O2S Molecular Weight (g/mol): 165.23 MDL Number: MFCD02153225 InChI Key: ZZAKLGGGMWORRT-UHFFFAOYSA-O Synonym: 1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine PubChem CID: 709161 IUPAC Name: 1-methylsulfonylpiperazine SMILES: CS(=O)(=O)N1CC[NH2+]CC1

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Specifications

PubChem CID	709161
CAS	55276-43-2
Molecular Weight (g/mol)	165.23
MDL Number	MFCD02153225
SMILES	CS(=O)(=O)N1CC[NH2+]CC1
Synonym	1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine
IUPAC Name	1-methylsulfonylpiperazine
InChI Key	ZZAKLGGGMWORRT-UHFFFAOYSA-O
Molecular Formula	C5H13N2O2S

KN-62

CAS: 127191-97-3 Molecular Formula: C38H35N5O6S2 Molecular Weight (g/mol): 721.85 MDL Number: MFCD00083180 InChI Key: RJVLFQBBRSMWHX-UHFFFAOYNA-N Synonym: s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester PubChem CID: 5312126 IUPAC Name: [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate SMILES: CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1

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Specifications

PubChem CID	5312126
CAS	127191-97-3
Molecular Weight (g/mol)	721.85
MDL Number	MFCD00083180
SMILES	CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1
Synonym	s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester
IUPAC Name	[4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
InChI Key	RJVLFQBBRSMWHX-UHFFFAOYNA-N
Molecular Formula	C38H35N5O6S2

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

Taurine, ≥98.5%, Molecular Biology Grade, Ultrapure

CAS: 107-35-7 Molecular Formula: C2H7NO3S Molecular Weight (g/mol): 125.14 MDL Number: MFCD00008197 InChI Key: XOAAWQZATWQOTB-UHFFFAOYSA-N Synonym: taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid PubChem CID: 1123 ChEBI: CHEBI:15891 IUPAC Name: 2-aminoethanesulfonic acid SMILES: NCCS(O)(=O)=O

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Specifications

PubChem CID	1123
CAS	107-35-7
Molecular Weight (g/mol)	125.14
ChEBI	CHEBI:15891
MDL Number	MFCD00008197
SMILES	NCCS(O)(=O)=O
Synonym	taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid
IUPAC Name	2-aminoethanesulfonic acid
InChI Key	XOAAWQZATWQOTB-UHFFFAOYSA-N
Molecular Formula	C2H7NO3S

Gallium(III) trifluoromethanesulfonate, 99%

CAS: 74974-60-0 Molecular Formula: C₃F₉GaO₉S₃ Molecular Weight (g/mol): 516.91 MDL Number: MFCD02093898 InChI Key: BVLXNPRUOXPBII-UHFFFAOYSA-K Synonym: gallium iii trifluoromethanesulfonate,gallium tris trifluoromethanesulfonate,gallium trifluoromethanesulfonate,gallium triflate,gallium iii trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, gallium salt,galium iii triflate,gallium iii triflate,gallium 3+ ion tritriflate,gallium tris fluoranyl methanesulfonate PubChem CID: 2733940 IUPAC Name: gallium;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-].[Ga+3]

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Specifications

PubChem CID	2733940
CAS	74974-60-0
Molecular Weight (g/mol)	516.91
MDL Number	MFCD02093898
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-].[Ga+3]
Synonym	gallium iii trifluoromethanesulfonate,gallium tris trifluoromethanesulfonate,gallium trifluoromethanesulfonate,gallium triflate,gallium iii trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, gallium salt,galium iii triflate,gallium iii triflate,gallium 3+ ion tritriflate,gallium tris fluoranyl methanesulfonate
IUPAC Name	gallium;trifluoromethanesulfonate
InChI Key	BVLXNPRUOXPBII-UHFFFAOYSA-K
Molecular Formula	C₃F₉GaO₉S₃

Organic sulfonic acids and derivatives

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