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

Systemtic Name: methyl 4-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate Openeye Name: methyl 4-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate CAS Name: 4-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate Traditional Name: 4-[[2-hydroxy-3-keto-3-methoxy-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(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O

Isomeric SMILES

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

InChI

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