diphenyl-(4-propan-2-ylphenyl)sulfanium; octane-1-sulfonate

Systemtic Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; octane-1-sulfonate Openeye Name: (4-isopropylphenyl)-diphenyl-sulfonium; octane-1-sulfonate CAS Name: diphenyl-(4-propan-2-ylphenyl)sulfonium; 1-octanesulfonate IUPAC Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; octane-1-sulfonate Traditional Name: octane-1-sulfonate; p-cumenyl(diphenyl)sulfonium Formula: C29H38O3S2 MolecularWeight: 498.74022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.C8H18O3S/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;1-2-3-4-5-6-7-8-12(9,10)11/h3-17H,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1