2-[(4E)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-4-tetradecylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(4E)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-4-tetradecylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(4E)-3-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-4-tetradecylidene-cyclohexyl]acetic acid CAS Name: 2-[(4E)-3-[(2-methoxy-2-oxoethyl)thio]-2-oxo-4-tetradecylidenecyclohexyl]acetic acid IUPAC Name: 2-[(4E)-3-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-4-tetradecylidenecyclohexyl]acetic acid Traditional Name: 2-[(4E)-2-keto-3-[(2-keto-2-methoxy-ethyl)thio]-4-tetradecylidene-cyclohexyl]acetic acid Formula: C25H42O5S MolecularWeight: 454.66298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(=O)C1SCC(=O)OC)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(=O)C1SCC(=O)OC)CC(=O)O

InChI

InChI=1S/C25H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(18-22(26)27)24(29)25(20)31-19-23(28)30-2/h15,21,25H,3-14,16-19H2,1-2H3,(H,26,27)/b20-15+