(2,4-dimethyl-3,5-diphenyl-phenyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (2,4-dimethyl-3,5-diphenyl-phenyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: (2,4-dimethyl-3,5-diphenyl-phenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: (2,4-dimethyl-3,5-diphenylphenyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: (2,4-dimethyl-3,5-diphenylphenyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: (2,4-dimethyl-3,5-diphenyl-phenyl)sulfonium tosylate Formula: C27H26O3S2 MolecularWeight: 462.62354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C(C=C1C2=CC=CC=C2)[SH2+])C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C(C=C1C2=CC=CC=C2)[SH2+])C)C3=CC=CC=C3

InChI

InChI=1S/C20H18S.C7H8O3S/c1-14-18(16-9-5-3-6-10-16)13-19(21)15(2)20(14)17-11-7-4-8-12-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-13,21H,1-2H3;2-5H,1H3,(H,8,9,10)