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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)CSC(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)CSC(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C32H38O5S/c1-37-29-20-19-27(31(33)34)21-28(29)23-38-30(32(35)36)22-26-18-12-11-17-25(26)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)