(4-methylphenyl)-diphenyl-sulfanium; 1,1,2-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; 1,1,2-tris(fluoranyl)butane-1-sulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; 1,1,2-trifluorobutane-1-sulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 1,1,2-trifluoro-1-butanesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; 1,1,2-trifluorobutane-1-sulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; 1,1,2-trifluorobutane-1-sulfonate Formula: C23H23F3O3S2 MolecularWeight: 468.55213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(F)(F)S(=O)(=O)[O-])F.CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(F)(F)S(=O)(=O)[O-])F.CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17S.C4H7F3O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3(5)4(6,7)11(8,9)10/h2-15H,1H3;3H,2H2,1H3,(H,8,9,10)/q+1;/p-1