diphenyl-(4-propan-2-ylphenyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: (4-isopropylphenyl)-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: diphenyl-(4-propan-2-ylphenyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: p-cumenyl(diphenyl)sulfonium tosylate Formula: C28H28O3S2 MolecularWeight: 476.65012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h3-17H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1