3-(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 3-(trifluoromethyl)benzenesulfonate; tris-p-tolylsulfonium CAS Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 3-(trifluoromethyl)besylate; tris-p-tolylsulfonium Formula: C28H25F3O3S2 MolecularWeight: 530.62151

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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=CC(=CC(=C1)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=CC(=CC(=C1)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H21S.C7H5F3O3S/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;8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h4-15H,1-3H3;1-4H,(H,11,12,13)/q+1;/p-1