methyl 2-[(4E)-1-acetyloxy-2-oxidanylidene-4-tetradecylidene-cyclohexyl]sulfanylethanoate

Systemtic Name: methyl 2-[(4E)-1-acetyloxy-2-oxidanylidene-4-tetradecylidene-cyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[(4E)-1-acetoxy-2-oxo-4-tetradecylidene-cyclohexyl]sulfanylacetate CAS Name: 2-[[(4E)-1-acetyloxy-2-oxo-4-tetradecylidenecyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-1-acetyloxy-2-oxo-4-tetradecylidenecyclohexyl]sulfanylacetate Traditional Name: 2-[[(4E)-1-acetoxy-2-keto-4-tetradecylidene-cyclohexyl]thio]acetic acid methyl ester Formula: C25H42O5S MolecularWeight: 454.66298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(=O)C1)(OC(=O)C)SCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H42O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-25(23(27)19-22,30-21(2)26)31-20-24(28)29-3/h16H,4-15,17-20H2,1-3H3/b22-16+