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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C)C)OP(=O)(OC2=CC=C(C=C2)C3=CSSC3=S)OC4=CC=CC=C4C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C)C)OP(=O)(OC2=CC=C(C=C2)C3=CSSC3=S)OC4=CC=CC=C4C

InChI

InChI=1S/C27H27O4PS3/c1-5-20-16-22(18(2)3)12-15-26(20)31-32(28,30-25-9-7-6-8-19(25)4)29-23-13-10-21(11-14-23)24-17-34-35-27(24)33/h6-18H,5H2,1-4H3