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

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-methylphenyl)-phenyl-sulfanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; phenyl(p-tolyl)sulfonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-methylphenyl)-phenylsulfonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-methylphenyl)-phenylsulfanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; phenyl(p-tolyl)sulfonium Formula: C21H16F6O3S2 MolecularWeight: 494.470359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12S.C8H4F6O3S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h2-10H,1H3;1-3H,(H,15,16,17)