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

Systemtic Name: 2-[(4E)-1-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(4E)-2-hydroxy-1-(2-methoxy-2-oxo-ethyl)sulfanyl-4-tetradecylidene-cyclohexyl]acetic acid CAS Name: 2-[(4E)-2-hydroxy-1-[(2-methoxy-2-oxoethyl)thio]-4-tetradecylidenecyclohexyl]acetic acid IUPAC Name: 2-[(4E)-2-hydroxy-1-(2-methoxy-2-oxoethyl)sulfanyl-4-tetradecylidenecyclohexyl]acetic acid Traditional Name: 2-[(4E)-2-hydroxy-1-[(2-keto-2-methoxy-ethyl)thio]-4-tetradecylidene-cyclohexyl]acetic acid Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-25(19-23(27)28,22(26)18-21)31-20-24(29)30-2/h15,22,26H,3-14,16-20H2,1-2H3,(H,27,28)/b21-15+