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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)OC)O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)OC)O)CCCC(=O)O

InChI

InChI=1S/C27H48O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-23-20-19-22(17-15-18-24(28)29)26(31)27(23)33-21-25(30)32-2/h16,22,26-27,31H,3-15,17-21H2,1-2H3,(H,28,29)/b23-16+