3-methoxy-4-[[2-methoxy-3-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[2-methoxy-3-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-hydroxy-2-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxy-benzoic acid CAS Name: 4-[[[3-hydroxy-2-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-hydroxy-2-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxybenzoic acid Traditional Name: 4-[[[3-hydroxy-3-keto-2-methoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]-3-methoxy-benzoic acid Formula: C33H40O6S MolecularWeight: 564.7321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)OC

InChI

InChI=1S/C33H40O6S/c1-38-29-22-26(32(34)35)20-21-27(29)23-40-31(30(39-2)33(36)37)28-19-13-12-18-25(28)17-11-6-4-3-5-8-14-24-15-9-7-10-16-24/h7,9-10,12-13,15-16,18-22,30-31H,3-6,8,11,14,17,23H2,1-2H3,(H,34,35)(H,36,37)