2-[(4E)-3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoate

Systemtic Name: 2-[(4E)-3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoate Openeye Name: 2-[(4E)-3-(3-ethoxy-3-oxo-propyl)sulfanyl-2-hydroxy-4-tetradecylidene-cyclohexyl]acetate CAS Name: 2-[(4E)-3-[(3-ethoxy-3-oxopropyl)thio]-2-hydroxy-4-tetradecylidenecyclohexyl]acetate IUPAC Name: 2-[(4E)-3-(3-ethoxy-3-oxopropyl)sulfanyl-2-hydroxy-4-tetradecylidenecyclohexyl]acetate Traditional Name: 2-[(4E)-3-[(3-ethoxy-3-keto-propyl)thio]-2-hydroxy-4-tetradecylidene-cyclohexyl]acetate Formula: C27H47O5S- MolecularWeight: 483.72408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCCC(=O)OCC)O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCCC(=O)OCC)O)CC(=O)[O-]

InChI

InChI=1S/C27H48O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-23(21-24(28)29)26(31)27(22)33-20-19-25(30)32-4-2/h16,23,26-27,31H,3-15,17-21H2,1-2H3,(H,28,29)/p-1/b22-16+