6-(2-carboxyethylsulfanyl)-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid

Systemtic Name: 6-(2-carboxyethylsulfanyl)-6-(4-nonylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 6-(2-carboxyethylsulfanyl)-5-hydroxy-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-(2-carboxyethylthio)-5-hydroxy-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-(2-carboxyethylsulfanyl)-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-(2-carboxyethylthio)-5-hydroxy-6-(4-nonylphenyl)hexanoic acid Formula: C24H38O5S MolecularWeight: 438.62052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C24H38O5S/c1-2-3-4-5-6-7-8-10-19-13-15-20(16-14-19)24(30-18-17-23(28)29)21(25)11-9-12-22(26)27/h13-16,21,24-25H,2-12,17-18H2,1H3,(H,26,27)(H,28,29)