methyl 4-[3-methylperoxy-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate

Systemtic Name: methyl 4-[3-methylperoxy-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate Openeye Name: methyl 4-[3-methylperoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate CAS Name: 4-[[3-methyldioxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-methylperoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate Traditional Name: 4-[[3-keto-3-methylperoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid methyl ester Formula: C32H38O5S MolecularWeight: 534.70612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CC(=O)OOC)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CC(=O)OOC)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C32H38O5S/c1-35-32(34)27-20-22-28(23-21-27)38-30(24-31(33)37-36-2)29-19-13-12-18-26(29)17-11-6-4-3-5-8-14-25-15-9-7-10-16-25/h7,9-10,12-13,15-16,18-23,30H,3-6,8,11,14,17,24H2,1-2H3