diphenyl-(4-propan-2-ylphenyl)sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-isopropylphenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: diphenyl-(4-propan-2-ylphenyl)sulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: p-cumenyl(diphenyl)sulfonium; 4-(trifluoromethyl)besylate Formula: C28H25F3O3S2 MolecularWeight: 530.62151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.C7H5F3O3S/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h3-17H,1-2H3;1-4H,(H,11,12,13)/q+1;/p-1