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

Systemtic Name: 2-[(4E)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoate Openeye Name: 2-[(4E)-2-hydroxy-3-(2-methoxy-2-oxo-ethyl)sulfanyl-4-tetradecylidene-cyclohexyl]acetate CAS Name: 2-[(4E)-2-hydroxy-3-[(2-methoxy-2-oxoethyl)thio]-4-tetradecylidenecyclohexyl]acetate IUPAC Name: 2-[(4E)-2-hydroxy-3-(2-methoxy-2-oxoethyl)sulfanyl-4-tetradecylidenecyclohexyl]acetate Traditional Name: 2-[(4E)-2-hydroxy-3-[(2-keto-2-methoxy-ethyl)thio]-4-tetradecylidene-cyclohexyl]acetate Formula: C25H43O5S- MolecularWeight: 455.67092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)OC)O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)OC)O)CC(=O)[O-]

InChI

InChI=1S/C25H44O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(18-22(26)27)24(29)25(20)31-19-23(28)30-2/h15,21,24-25,29H,3-14,16-19H2,1-2H3,(H,26,27)/p-1/b20-15+