(4-methylphenyl)-diphenyl-sulfanium; 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; 3-(trifluoromethyl)benzenesulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; 3-(trifluoromethyl)benzenesulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 3-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; 3-(trifluoromethyl)benzenesulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; 3-(trifluoromethyl)besylate Formula: C26H21F3O3S2 MolecularWeight: 502.56835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17S.C7H5F3O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h2-15H,1H3;1-4H,(H,11,12,13)/q+1;/p-1