bis(4-methylphenyl)-phenyl-sulfanium; 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(4-methylphenyl)-phenyl-sulfanium; 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; phenyl(bis-p-tolyl)sulfonium CAS Name: bis(4-methylphenyl)-phenylsulfonium; 3,5-bis(trifluoromethyl)benzenesulfonate IUPAC Name: bis(4-methylphenyl)-phenylsulfanium; 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)besylate; phenyl(bis-p-tolyl)sulfonium Formula: C28H22F6O3S2 MolecularWeight: 584.592899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19S.C8H4F6O3S/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h3-15H,1-2H3;1-3H,(H,15,16,17)/q+1;/p-1