2-[(4E)-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-nonylidene-2-oxidanyl-cyclohexyl]ethanoate

Systemtic Name: 2-[(4E)-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-nonylidene-2-oxidanyl-cyclohexyl]ethanoate Openeye Name: 2-[(4E)-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-hydroxy-4-nonylidene-cyclohexyl]acetate CAS Name: 2-[(4E)-3-[(2-ethoxy-2-oxoethyl)thio]-2-hydroxy-4-nonylidenecyclohexyl]acetate IUPAC Name: 2-[(4E)-3-(2-ethoxy-2-oxoethyl)sulfanyl-2-hydroxy-4-nonylidenecyclohexyl]acetate Traditional Name: 2-[(4E)-3-[(2-ethoxy-2-keto-ethyl)thio]-2-hydroxy-4-nonylidene-cyclohexyl]acetate Formula: C21H35O5S- MolecularWeight: 399.5646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CCC(C(C1SCC(=O)OCC)O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/1\CCC(C(C1SCC(=O)OCC)O)CC(=O)[O-]

InChI

InChI=1S/C21H36O5S/c1-3-5-6-7-8-9-10-11-16-12-13-17(14-18(22)23)20(25)21(16)27-15-19(24)26-4-2/h11,17,20-21,25H,3-10,12-15H2,1-2H3,(H,22,23)/p-1/b16-11+