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

Systemtic Name: 3-[(4E)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoate Openeye Name: 3-[(4E)-2-hydroxy-3-(2-methoxy-2-oxo-ethyl)sulfanyl-4-tetradecylidene-cyclohexyl]propanoate CAS Name: 3-[(4E)-2-hydroxy-3-[(2-methoxy-2-oxoethyl)thio]-4-tetradecylidenecyclohexyl]propanoate IUPAC Name: 3-[(4E)-2-hydroxy-3-(2-methoxy-2-oxoethyl)sulfanyl-4-tetradecylidenecyclohexyl]propanoate Traditional Name: 3-[(4E)-2-hydroxy-3-[(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(C1SCC(=O)OC)O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H46O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-17-16-21(18-19-23(27)28)25(30)26(22)32-20-24(29)31-2/h15,21,25-26,30H,3-14,16-20H2,1-2H3,(H,27,28)/p-1/b22-15+