diphenyl-(2,4,6-trimethylphenyl)sulfanium; methanesulfonate

Systemtic Name: diphenyl-(2,4,6-trimethylphenyl)sulfanium; methanesulfonate Openeye Name: diphenyl-(2,4,6-trimethylphenyl)sulfonium; methanesulfonate CAS Name: diphenyl-(2,4,6-trimethylphenyl)sulfonium; methanesulfonate IUPAC Name: diphenyl-(2,4,6-trimethylphenyl)sulfanium; methanesulfonate Traditional Name: mesityl(diphenyl)sulfonium mesylate Formula: C22H24O3S2 MolecularWeight: 400.55416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.CH4O3S/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-5(2,3)4/h4-15H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1