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

Systemtic Name: (2-tert-butylphenyl) phenyl [4-(3-sulfanylidene-1,2-dithiol-4-yl)phenyl] phosphate Openeye Name: (2-tert-butylphenyl) phenyl [4-(3-thioxodithiol-4-yl)phenyl] phosphate CAS Name: phosphoric acid (2-tert-butylphenyl) phenyl [4-(3-sulfanylidene-4-dithiolyl)phenyl] ester IUPAC Name: (2-tert-butylphenyl) phenyl [4-(3-sulfanylidenedithiol-4-yl)phenyl] phosphate Traditional Name: phosphoric acid (2-tert-butylphenyl) phenyl [4-(3-thioxodithiol-4-yl)phenyl] ester Formula: C25H23O4PS3 MolecularWeight: 514.616481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CSSC4=S

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CSSC4=S

InChI

InChI=1S/C25H23O4PS3/c1-25(2,3)22-11-7-8-12-23(22)29-30(26,27-19-9-5-4-6-10-19)28-20-15-13-18(14-16-20)21-17-32-33-24(21)31/h4-17H,1-3H3