(3,5-dimethylphenyl)-diphenyl-sulfanium; 2,4,6-tris(trifluoromethyl)benzenesulfonate

Systemtic Name: (3,5-dimethylphenyl)-diphenyl-sulfanium; 2,4,6-tris(trifluoromethyl)benzenesulfonate Openeye Name: (3,5-dimethylphenyl)-diphenyl-sulfonium; 2,4,6-tris(trifluoromethyl)benzenesulfonate CAS Name: (3,5-dimethylphenyl)-diphenylsulfonium; 2,4,6-tris(trifluoromethyl)benzenesulfonate IUPAC Name: (3,5-dimethylphenyl)-diphenylsulfanium; 2,4,6-tris(trifluoromethyl)benzenesulfonate Traditional Name: (3,5-dimethylphenyl)-diphenyl-sulfonium; 2,4,6-tris(trifluoromethyl)besylate Formula: C29H21F9O3S2 MolecularWeight: 652.590869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19S.C9H3F9O3S/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;10-7(11,12)3-1-4(8(13,14)15)6(22(19,20)21)5(2-3)9(16,17)18/h3-15H,1-2H3;1-2H,(H,19,20,21)/q+1;/p-1