ethyl (E)-7-[(1R,5S)-3-methyl-5-octyl-2-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,5S)-3-methyl-5-octyl-2-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,5S)-3-methyl-5-octyl-2-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,5S)-3-methyl-5-octyl-2-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,5S)-3-methyl-5-octyl-2-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,5S)-2-keto-3-methyl-5-octyl-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C23H40O3 MolecularWeight: 364.5619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(C(=O)C1CCCCC=CC(=O)OCC)C

Isomeric SMILES

CCCCCCCC[C@H]1CC(C(=O)[C@@H]1CCCC/C=C/C(=O)OCC)C

InChI

InChI=1S/C23H40O3/c1-4-6-7-8-9-12-15-20-18-19(3)23(25)21(20)16-13-10-11-14-17-22(24)26-5-2/h14,17,19-21H,4-13,15-16,18H2,1-3H3/b17-14+/t19?,20-,21+/m0/s1