2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium

Systemtic Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium Openeye Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfonium CAS Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfonium IUPAC Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium Traditional Name: 2,4-bis(trifluoromethyl)besylate; mesityl(diphenyl)sulfonium Formula: C29H24F6O3S2 MolecularWeight: 598.619479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.C8H4F6O3S/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;9-7(10,11)4-1-2-6(18(15,16)17)5(3-4)8(12,13)14/h4-15H,1-3H3;1-3H,(H,15,16,17)/q+1;/p-1