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

Systemtic Name: 2-[(4E)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoate Openeye Name: 2-[(4E)-2-hydroxy-1-(2-methoxy-2-oxo-ethyl)sulfanyl-4-tetradecylidene-cyclohexyl]propanoate CAS Name: 2-[(4E)-2-hydroxy-1-[(2-methoxy-2-oxoethyl)thio]-4-tetradecylidenecyclohexyl]propanoate IUPAC Name: 2-[(4E)-2-hydroxy-1-(2-methoxy-2-oxoethyl)sulfanyl-4-tetradecylidenecyclohexyl]propanoate Traditional Name: 2-[(4E)-2-hydroxy-1-[(2-keto-2-methoxy-ethyl)thio]-4-tetradecylidene-cyclohexyl]propionate Formula: C26H45O5S- MolecularWeight: 469.6975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1)O)(C(C)C(=O)[O-])SCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H46O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-26(23(27)19-22,21(2)25(29)30)32-20-24(28)31-3/h16,21,23,27H,4-15,17-20H2,1-3H3,(H,29,30)/p-1/b22-16+