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

Systemtic Name: (2-propan-2-ylphenyl) (3-propan-2-ylphenyl) [4-(3-sulfanylidene-1,2-dithiol-4-yl)phenyl] phosphate Openeye Name: (2-isopropylphenyl) (3-isopropylphenyl) [4-(3-thioxodithiol-4-yl)phenyl] phosphate CAS Name: phosphoric acid (2-propan-2-ylphenyl) (3-propan-2-ylphenyl) [4-(3-sulfanylidene-4-dithiolyl)phenyl] ester IUPAC Name: (2-propan-2-ylphenyl) (3-propan-2-ylphenyl) [4-(3-sulfanylidenedithiol-4-yl)phenyl] phosphate Traditional Name: phosphoric acid m-cumenyl o-cumenyl [4-(3-thioxodithiol-4-yl)phenyl] ester Formula: C27H27O4PS3 MolecularWeight: 542.669641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=C(C=C2)C3=CSSC3=S)OC4=CC=CC=C4C(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=C(C=C2)C3=CSSC3=S)OC4=CC=CC=C4C(C)C

InChI

InChI=1S/C27H27O4PS3/c1-18(2)21-8-7-9-23(16-21)30-32(28,31-26-11-6-5-10-24(26)19(3)4)29-22-14-12-20(13-15-22)25-17-34-35-27(25)33/h5-19H,1-4H3