ethyl 5-(8-ethoxy-8-oxidanylidene-octyl)-2-[(E)-hex-1-enyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 5-(8-ethoxy-8-oxidanylidene-octyl)-2-[(E)-hex-1-enyl]cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 5-(8-ethoxy-8-oxo-octyl)-2-[(E)-hex-1-enyl]cyclohex-3-ene-1-carboxylate CAS Name: 5-(8-ethoxy-8-oxooctyl)-2-[(E)-hex-1-enyl]-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(8-ethoxy-8-oxooctyl)-2-[(E)-hex-1-enyl]cyclohex-3-ene-1-carboxylate Traditional Name: 5-(8-ethoxy-8-keto-octyl)-2-[(E)-hex-1-enyl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H42O4 MolecularWeight: 406.59858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1C=CC(CC1C(=O)OCC)CCCCCCCC(=O)OCC

Isomeric SMILES

CCCC/C=C/C1C=CC(CC1C(=O)OCC)CCCCCCCC(=O)OCC

InChI

InChI=1S/C25H42O4/c1-4-7-8-13-16-22-19-18-21(20-23(22)25(27)29-6-3)15-12-10-9-11-14-17-24(26)28-5-2/h13,16,18-19,21-23H,4-12,14-15,17,20H2,1-3H3/b16-13+