2-[(4E)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]butanoic acid

Systemtic Name: 2-[(4E)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]butanoic acid Openeye Name: 2-[(4E)-2-hydroxy-1-(2-methoxy-2-oxo-ethyl)sulfanyl-4-tetradecylidene-cyclohexyl]butanoic acid CAS Name: 2-[(4E)-2-hydroxy-1-[(2-methoxy-2-oxoethyl)thio]-4-tetradecylidenecyclohexyl]butanoic acid IUPAC Name: 2-[(4E)-2-hydroxy-1-(2-methoxy-2-oxoethyl)sulfanyl-4-tetradecylidenecyclohexyl]butanoic acid Traditional Name: 2-[(4E)-2-hydroxy-1-[(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(C1)O)(C(CC)C(=O)O)SCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1)O)(C(CC)C(=O)O)SCC(=O)OC

InChI

InChI=1S/C27H48O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19-27(24(28)20-22,23(5-2)26(30)31)33-21-25(29)32-3/h17,23-24,28H,4-16,18-21H2,1-3H3,(H,30,31)/b22-17+