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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

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