(4-methylphenyl)-diphenyl-sulfanium; 4-octylbenzenesulfonate

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; 4-octylbenzenesulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; 4-octylbenzenesulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 4-octylbenzenesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; 4-octylbenzenesulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; 4-octylbesylate Formula: C33H38O3S2 MolecularWeight: 546.78302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17S.C14H22O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h2-15H,1H3;9-12H,2-8H2,1H3,(H,15,16,17)/q+1;/p-1