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 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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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-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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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

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

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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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

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

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 trifluoromethanesulfonate, 97%

CAS: 333-27-7 Molecular Formula: C2H3F3O3S Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000409 InChI Key: OIRDBPQYVWXNSJ-UHFFFAOYSA-N Synonym: methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester PubChem CID: 9526 IUPAC Name: methyl trifluoromethanesulfonate SMILES: COS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	9526
CAS	333-27-7
Molecular Weight (g/mol)	164.10
MDL Number	MFCD00000409
SMILES	COS(=O)(=O)C(F)(F)F
Synonym	methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester
IUPAC Name	methyl trifluoromethanesulfonate
InChI Key	OIRDBPQYVWXNSJ-UHFFFAOYSA-N
Molecular Formula	C2H3F3O3S

Thermo Scientific Chemicals Sulforhodamine 101 (free acid), 99%, pure, laser grade

CAS: 60311-02-6 Molecular Formula: C31H29ClN2O6S2 Molecular Weight (g/mol): 625.15 MDL Number: MFCD00012407 InChI Key: MPLHNVLQVRSVEE-UHFFFAOYSA-N Synonym: sulforhodamine 101,sulforhodamine 101; sulforhodamine 640,unii-fx0es3271v,texas red, sulforhodamine 101 acid chloride,2-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-pyrido 3,2,1-ij quinolizino 1',9':6,7,8 chromeno 2,3-f quinolin-4-ium-9-yl-5-sulfobenzenesulfonate,16-4-sulfo-2-sulfonatophenyl-3-oxa-9$l^ 5 ,23-diazaheptacyclo 17.7.1.1^ 5,9 .0^ 2,17 .0^ 4,15 .0^ 23,27 .0^ 13,28 octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9??,23-diazaheptacyclo 17.7.1.1?,?.0 2 , 1 ?.0?, 1 ?.0 2 3 , 2 ?.0 1 3 , 2 ? octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9lambda,23-diazaheptacyclo 17.7.1.1,.0 2 , 1 .0, 1 .0 2 3 , 2 .0 1 3 , 2 octacosa-1,4,9 28 ,13,15,17,19 27-heptaen-9-ylium,9-2,4-disulfophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium inner salt,hydrogen 9-2,4-disulphonatophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium PubChem CID: 122180 ChEBI: CHEBI:52274 IUPAC Name: 16-[4-(chlorosulfonyl)-2-sulfonatophenyl]-3λ⁴-oxa-9,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium SMILES: [O-]S(=O)(=O)C1=CC(=CC=C1C1=C2C=C3CCCN4CCCC(C2=[O+]C2=C5CCCN6CCCC(C=C12)=C56)=C34)S(Cl)(=O)=O

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PubChem CID	122180
CAS	60311-02-6
Molecular Weight (g/mol)	625.15
ChEBI	CHEBI:52274
MDL Number	MFCD00012407
SMILES	[O-]S(=O)(=O)C1=CC(=CC=C1C1=C2C=C3CCCN4CCCC(C2=[O+]C2=C5CCCN6CCCC(C=C12)=C56)=C34)S(Cl)(=O)=O
Synonym	sulforhodamine 101,sulforhodamine 101; sulforhodamine 640,unii-fx0es3271v,texas red, sulforhodamine 101 acid chloride,2-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-pyrido 3,2,1-ij quinolizino 1',9':6,7,8 chromeno 2,3-f quinolin-4-ium-9-yl-5-sulfobenzenesulfonate,16-4-sulfo-2-sulfonatophenyl-3-oxa-9$l^ 5 ,23-diazaheptacyclo 17.7.1.1^ 5,9 .0^ 2,17 .0^ 4,15 .0^ 23,27 .0^ 13,28 octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9??,23-diazaheptacyclo 17.7.1.1?,?.0 2 , 1 ?.0?, 1 ?.0 2 3 , 2 ?.0 1 3 , 2 ? octacosa-1 27 ,2 17 ,4,9 28 ,13,15,18-heptaen-9-ylium,16-4-sulfo-2-sulfonatophenyl-3-oxa-9lambda,23-diazaheptacyclo 17.7.1.1,.0 2 , 1 .0, 1 .0 2 3 , 2 .0 1 3 , 2 octacosa-1,4,9 28 ,13,15,17,19 27-heptaen-9-ylium,9-2,4-disulfophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium inner salt,hydrogen 9-2,4-disulphonatophenyl-2,3,6,7,12,13,16,17-octahydro-1h,5h,11h,15h-xantheno 2,3,4-ij:5,6,7-i'j' diquinolizin-18-ium
IUPAC Name	16-[4-(chlorosulfonyl)-2-sulfonatophenyl]-3λ⁴-oxa-9,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium
InChI Key	MPLHNVLQVRSVEE-UHFFFAOYSA-N
Molecular Formula	C31H29ClN2O6S2

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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Specifications

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

Busulfan, 98%

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Aluminum trifluoromethanesulfonate, Thermo Scientific Chemicals

CAS: 74974-61-1 Molecular Formula: C3AlF9O9S3 Molecular Weight (g/mol): 474.171 MDL Number: MFCD00143596 InChI Key: FKOASGGZYSYPBI-UHFFFAOYSA-K Synonym: aluminum trifluoromethanesulfonate,aluminum triflate,aluminum triflate,aluminum tris trifluoromethanesulfonate,aluminum trifluoromethanesulphonate,aluminum 3+ tritriflate,aluminum trifluoromethanesulfonate,aluminum iii triflate,aluminum iii triflate,aluminum tris fluoranyl methanesulfonate PubChem CID: 2737634 IUPAC Name: aluminum;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-].[Al+3]

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Specifications

PubChem CID	2737634
CAS	74974-61-1
Molecular Weight (g/mol)	474.171
MDL Number	MFCD00143596
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-].[Al+3]
Synonym	aluminum trifluoromethanesulfonate,aluminum triflate,aluminum triflate,aluminum tris trifluoromethanesulfonate,aluminum trifluoromethanesulphonate,aluminum 3+ tritriflate,aluminum trifluoromethanesulfonate,aluminum iii triflate,aluminum iii triflate,aluminum tris fluoranyl methanesulfonate
IUPAC Name	aluminum;trifluoromethanesulfonate
InChI Key	FKOASGGZYSYPBI-UHFFFAOYSA-K
Molecular Formula	C3AlF9O9S3

Organic sulfonic acids and derivatives

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