3-(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfanium

Systemtic Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfanium Openeye Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-isopropylphenyl)sulfonium CAS Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfonium IUPAC Name: 3-(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfanium Traditional Name: 3-(trifluoromethyl)besylate; tris(p-cumenyl)sulfonium Formula: C34H37F3O3S2 MolecularWeight: 614.78099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33S.C7H5F3O3S/c1-19(2)22-7-13-25(14-8-22)28(26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6;8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h7-21H,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1