(4-tert-butylphenyl) 2-(trifluoromethyl)benzenesulfonate; diphenylsulfanium

Systemtic Name: (4-tert-butylphenyl) 2-(trifluoromethyl)benzenesulfonate; diphenylsulfanium Openeye Name: (4-tert-butylphenyl) 2-(trifluoromethyl)benzenesulfonate; diphenylsulfonium CAS Name: diphenylsulfonium; 2-(trifluoromethyl)benzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-(trifluoromethyl)benzenesulfonate; diphenylsulfanium Traditional Name: diphenylsulfonium; 2-(trifluoromethyl)benzenesulfonic acid (4-tert-butylphenyl) ester Formula: C29H28F3O3S2+ MolecularWeight: 545.65603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

InChI

InChI=1S/C17H17F3O3S.C12H10S/c1-16(2,3)12-8-10-13(11-9-12)23-24(21,22)15-7-5-4-6-14(15)17(18,19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-11H,1-3H3;1-10H/p+1