3-[(4E)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[(4E)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoic acid Openeye Name: 3-[(4E)-2-hydroxy-3-(3-methoxy-3-oxo-propyl)sulfanyl-4-tetradecylidene-cyclohexyl]propanoic acid CAS Name: 3-[(4E)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)thio]-4-tetradecylidenecyclohexyl]propanoic acid IUPAC Name: 3-[(4E)-2-hydroxy-3-(3-methoxy-3-oxopropyl)sulfanyl-4-tetradecylidenecyclohexyl]propanoic acid Traditional Name: 3-[(4E)-2-hydroxy-3-[(3-keto-3-methoxy-propyl)thio]-4-tetradecylidene-cyclohexyl]propionic acid Formula: C27H48O5S MolecularWeight: 484.73202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCCC(=O)OC)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCCC(=O)OC)O)CCC(=O)O

InChI

InChI=1S/C27H48O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-16-22(18-19-24(28)29)26(31)27(23)33-21-20-25(30)32-2/h15,22,26-27,31H,3-14,16-21H2,1-2H3,(H,28,29)/b23-15+