(2-methylphenyl) phenyl [4-(3-sulfanylidene-1,2-dithiol-4-yl)phenyl] phosphate

Systemtic Name: (2-methylphenyl) phenyl [4-(3-sulfanylidene-1,2-dithiol-4-yl)phenyl] phosphate Openeye Name: o-tolyl phenyl [4-(3-thioxodithiol-4-yl)phenyl] phosphate CAS Name: phosphoric acid (2-methylphenyl) phenyl [4-(3-sulfanylidene-4-dithiolyl)phenyl] ester IUPAC Name: (2-methylphenyl) phenyl [4-(3-sulfanylidenedithiol-4-yl)phenyl] phosphate Traditional Name: phosphoric acid o-tolyl phenyl [4-(3-thioxodithiol-4-yl)phenyl] ester Formula: C22H17O4PS3 MolecularWeight: 472.536741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CSSC4=S

Isomeric SMILES

CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CSSC4=S

InChI

InChI=1S/C22H17O4PS3/c1-16-7-5-6-10-21(16)26-27(23,24-18-8-3-2-4-9-18)25-19-13-11-17(12-14-19)20-15-29-30-22(20)28/h2-15H,1H3