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

Systemtic Name: 2-[(4E)-3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-4-nonylidene-2-oxidanyl-cyclohexyl]ethanoate Openeye Name: 2-[(4E)-3-(3-ethoxy-3-oxo-propyl)sulfanyl-2-hydroxy-4-nonylidene-cyclohexyl]acetate CAS Name: 2-[(4E)-3-[(3-ethoxy-3-oxopropyl)thio]-2-hydroxy-4-nonylidenecyclohexyl]acetate IUPAC Name: 2-[(4E)-3-(3-ethoxy-3-oxopropyl)sulfanyl-2-hydroxy-4-nonylidenecyclohexyl]acetate Traditional Name: 2-[(4E)-3-[(3-ethoxy-3-keto-propyl)thio]-2-hydroxy-4-nonylidene-cyclohexyl]acetate Formula: C22H37O5S- MolecularWeight: 413.59118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CCC(C(C1SCCC(=O)OCC)O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/1\CCC(C(C1SCCC(=O)OCC)O)CC(=O)[O-]

InChI

InChI=1S/C22H38O5S/c1-3-5-6-7-8-9-10-11-17-12-13-18(16-19(23)24)21(26)22(17)28-15-14-20(25)27-4-2/h11,18,21-22,26H,3-10,12-16H2,1-2H3,(H,23,24)/p-1/b17-11+