4-[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylmethyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylmethyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylmethyl]-3-methoxy-benzoic acid CAS Name: 4-[[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]thio]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylmethyl]-3-methoxybenzoic acid Traditional Name: 4-[[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]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)CSC2=CC=CC(=C2CCCCCCCCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CSC2=CC=CC(=C2CCCCCCCCC3=CC=CC=C3)CCC(=O)O

InChI

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