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

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris-p-tolylsulfonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; tris-p-tolylsulfonium Formula: C29H24F6O3S2 MolecularWeight: 598.619479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)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=C(C=C2)C)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/C21H21S.C8H4F6O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h4-15H,1-3H3;1-3H,(H,15,16,17)/q+1;/p-1