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

Systemtic Name: 3-methoxy-4-[[3-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxy-benzoic acid CAS Name: 4-[[[3-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-hydroxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxybenzoic acid Traditional Name: 4-[[[3-hydroxy-3-keto-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]-3-methoxy-benzoic acid Formula: C32H38O5S MolecularWeight: 534.70612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38O5S/c1-37-29-21-26(32(35)36)19-20-27(29)23-38-30(22-31(33)34)28-18-12-11-17-25(28)16-10-5-3-2-4-7-13-24-14-8-6-9-15-24/h6,8-9,11-12,14-15,17-21,30H,2-5,7,10,13,16,22-23H2,1H3,(H,33,34)(H,35,36)