benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite

C130H147F12O21PS16-2 — CID 158992345

IUPACbenzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
SMILESCCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)[O-].COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.C[S+](C)CC(=O)c1ccccc1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.FC(F)F.FP(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1ccccc1.O=S([O-])[O-].Sc1ccc([SH+]c2ccccc2)cc1.Sc1ccc([SH+]c2ccccc2)cc1.[F-].[SH2+]c1ccccc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1
InChIInChI=1S/2C18H14S2.C16H14O5S.C13H28.2C12H10S2.C10H13OS.C9H12O3S.C8H18O3S.C6H6O3S.C6H6S.CHF3O3S.CHF3.F5P.FH.H2O3S/c2*1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-5-7-9-11-13-12-10-8-6-4-2;2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-12(2)8-10(11)9-6-4-3-5-7-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-3-4-5-6-7-8-12(9,10)11;7-10(8,9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7;2-1(3)4;1-6(2,3,4)5;;1-4(2)3/h2*1-14H;3-9H,1-2H3,(H,17,18,19);3-13H2,1-2H3;2*1-9,13H;3-7H,8H2,1-2H3;4-5H,1-3H3,(H,10,11,12);2-8H2,1H3,(H,9,10,11);1-5H,(H,7,8,9);1-5,7H;(H,5,6,7);1H;;1H;(H2,1,2,3)/q;;;;;;+1;;;;;;;;;/p-3
InChIKeyBWVSLTPQHHUVLA-UHFFFAOYSA-K
MW2817.61 g/mol
LogP31.78
Rot. Bonds37

About benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite

benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite (PubChem CID 158992345) has the molecular formula C130H147F12O21PS16-2 and a molecular weight of 2817.61 g/mol. Its IUPAC name is benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite.

Molecular Properties

Compound Namebenzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
PubChem CID158992345
Molecular FormulaC130H147F12O21PS16-2
Molecular Weight2817.61 g/mol
Exact Mass2814.55
IUPAC Namebenzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
SMILESCCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)[O-].COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.C[S+](C)CC(=O)c1ccccc1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.FC(F)F.FP(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1ccccc1.O=S([O-])[O-].Sc1ccc([SH+]c2ccccc2)cc1.Sc1ccc([SH+]c2ccccc2)cc1.[F-].[SH2+]c1ccccc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1
InChIInChI=1S/2C18H14S2.C16H14O5S.C13H28.2C12H10S2.C10H13OS.C9H12O3S.C8H18O3S.C6H6O3S.C6H6S.CHF3O3S.CHF3.F5P.FH.H2O3S/c2*1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-5-7-9-11-13-12-10-8-6-4-2;2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-12(2)8-10(11)9-6-4-3-5-7-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-3-4-5-6-7-8-12(9,10)11;7-10(8,9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7;2-1(3)4;1-6(2,3,4)5;;1-4(2)3/h2*1-14H;3-9H,1-2H3,(H,17,18,19);3-13H2,1-2H3;2*1-9,13H;3-7H,8H2,1-2H3;4-5H,1-3H3,(H,10,11,12);2-8H2,1H3,(H,9,10,11);1-5H,(H,7,8,9);1-5,7H;(H,5,6,7);1H;;1H;(H2,1,2,3)/q;;;;;;+1;;;;;;;;;/p-3
InChIKeyBWVSLTPQHHUVLA-UHFFFAOYSA-K
XLogP31.78
TPSA384.72 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.61
LogP ≤ 531.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[1-(4-Butoxynaphthalen-1-yl)thiolan-1-yl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;[1-(2-naphthalen-2-yl-2-oxoethyl)thiolan-1-yl] trifluoromethanesulfonate
CID 139973418
[[2-Methoxy-6-[3-(4-methylphenyl)prop-2-enoyl]naphthalen-1-yl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141760391
Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;fluoroform;octane-1-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;pentafluoro-lambda5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
CID 157172981
Benzenesulfonate;bis(4-benzylbenzenethiol);1-benzyl-4-butoxybenzene;bis(1-benzyl-4-phenylsulfanylbenzene);butyl 2-oxidoperoxysulfanylbenzoate;1-chloropropan-2-ylbenzene;2-cyclohexyl-1-phenylethanone;2-cyclopentyl-1-naphthalen-2-ylethanone;bis(2-cyclopentyl-1-phenylethanone);9,10-dimethoxyanthracene-2-sulfonate;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;4-ethyl-2,6-dimethylbenzenesulfonate;fluoroform;3-methyl-1-phenylbutan-1-one;octane-1-sulfonate;1-oxidoperoxysulfanylanthracene;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tris(pentafluoro-lambda5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite
CID 157181140
Bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[4-(3,4-dimethylphenoxy)phenyl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;4-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;3,4,9,10-tetramethyl-3a,12c-dihydroperylene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 157335764
1,1'-Biphenyl;bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenoxy)-4-[2-[4-(3,4-dimethylphenoxy)-3-methylphenyl]propan-2-yl]-2-methylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;methane;naphthalene
CID 157548118
Bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[3-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 157688163
Bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[4-(3,4-dimethylphenoxy)phenyl]phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;4-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 157812477
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;bis(2,4,6-tricyclohexylbenzenesulfonate);triphenylsulfanium
CID 157983872
Bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
CID 158094204
1,4-Bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
CID 158224226
Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;4-ethyl-2,6-dimethylbenzenesulfonate;fluoroform;2,3,4,5,6-pentafluorobenzenesulfonate;phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;sulfite
CID 158292257

Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite?
The IUPAC name of benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite (CID 158992345) is benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite.
What is the SMILES notation for benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite?
The canonical SMILES for benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite is CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)[O-].COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.C[S+](C)CC(=O)c1ccccc1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.FC(F)F.FP(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1ccccc1.O=S([O-])[O-].Sc1ccc([SH+]c2ccccc2)cc1.Sc1ccc([SH+]c2ccccc2)cc1.[F-].[SH2+]c1ccccc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1.
What is the InChIKey of benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite?
The InChIKey is BWVSLTPQHHUVLA-UHFFFAOYSA-K. The full InChI is InChI=1S/2C18H14S2.C16H14O5S.C13H28.2C12H10S2.C10H13OS.C9H12O3S.C8H18O3S.C6H6O3S.C6H6S.CHF3O3S.CHF3.F5P.FH.H2O3S/c2*1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-5-7-9-11-13-12-10-8-6-4-2;2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-12(2)8-10(11)9-6-4-3-5-7-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-3-4-5-6-7-8-12(9,10)11;7-10(8,9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7;2-1(3)4;1-6(2,3,4)5;;1-4(2)3/h2*1-14H;3-9H,1-2H3,(H,17,18,19);3-13H2,1-2H3;2*1-9,13H;3-7H,8H2,1-2H3;4-5H,1-3H3,(H,10,11,12);2-8H2,1H3,(H,9,10,11);1-5H,(H,7,8,9);1-5,7H;(H,5,6,7);1H;;1H;(H2,1,2,3)/q;;;;;;+1;;;;;;;;;/p-3.
What are the key properties of benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite?
benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite has a molecular weight of 2817.61 g/mol, XLogP of 31.78, 37 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-λ5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite is sourced from PubChem (CID 158992345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).