2-methoxy-3-(4-methoxycarbonylphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-(4-methoxycarbonylphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-methoxy-3-(4-methoxycarbonylphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-methoxy-3-[(4-methoxycarbonylphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-methoxy-3-(4-methoxycarbonylphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[(4-carbomethoxyphenyl)thio]-2-methoxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C32H38O5S MolecularWeight: 534.70612

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC)C(=O)O

Isomeric SMILES

COC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC)C(=O)O

InChI

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