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

Systemtic Name: 3-(4-methoxycarbonylphenyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-hydroxy-3-(4-methoxycarbonylphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-hydroxy-3-[(4-methoxycarbonylphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-hydroxy-3-(4-methoxycarbonylphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[(4-carbomethoxyphenyl)thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C31H36O5S MolecularWeight: 520.67954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)O

InChI

InChI=1S/C31H36O5S/c1-36-31(35)25-19-21-26(22-20-25)37-29(28(32)30(33)34)27-18-12-11-17-24(27)16-10-5-3-2-4-7-13-23-14-8-6-9-15-23/h6,8-9,11-12,14-15,17-22,28-29,32H,2-5,7,10,13,16H2,1H3,(H,33,34)