(6R,7S)-7-(2-carboxyethylsulfanyl)-7-(4-octylphenyl)-6-oxidanyl-heptanoic acid

Systemtic Name: (6R,7S)-7-(2-carboxyethylsulfanyl)-7-(4-octylphenyl)-6-oxidanyl-heptanoic acid Openeye Name: (6R,7S)-7-(2-carboxyethylsulfanyl)-6-hydroxy-7-(4-octylphenyl)heptanoic acid CAS Name: (6R,7S)-7-(2-carboxyethylthio)-6-hydroxy-7-(4-octylphenyl)heptanoic acid IUPAC Name: (6R,7S)-7-(2-carboxyethylsulfanyl)-6-hydroxy-7-(4-octylphenyl)heptanoic acid Traditional Name: (6R,7S)-7-(2-carboxyethylthio)-6-hydroxy-7-(4-octylphenyl)enanthic acid Formula: C24H38O5S MolecularWeight: 438.62052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)[C@@H]([C@@H](CCCCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C24H38O5S/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)24(30-18-17-23(28)29)21(25)11-8-9-12-22(26)27/h13-16,21,24-25H,2-12,17-18H2,1H3,(H,26,27)(H,28,29)/t21-,24+/m1/s1