6-[3-(carboxymethyloxy)-4-ethanoyl-phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid

Systemtic Name: 6-[3-(carboxymethyloxy)-4-ethanoyl-phenyl]sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 6-[4-acetyl-3-(carboxymethyloxy)phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[[4-acetyl-3-(carboxymethyloxy)phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-[4-acetyl-3-(carboxymethyloxy)phenyl]sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[[4-acetyl-3-(carboxymethyloxy)phenyl]thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Formula: C31H42O7S MolecularWeight: 558.72598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC(=C(C=C2)C(=O)C)OCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC(=C(C=C2)C(=O)C)OCC(=O)O

InChI

InChI=1S/C31H42O7S/c1-3-4-5-6-7-8-9-11-23-14-16-24(17-15-23)31(27(33)12-10-13-29(34)35)39-25-18-19-26(22(2)32)28(20-25)38-21-30(36)37/h14-20,27,31,33H,3-13,21H2,1-2H3,(H,34,35)(H,36,37)