ethyl (7E)-7-[(2S)-2-octyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate

Systemtic Name: ethyl (7E)-7-[(2S)-2-octyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate Openeye Name: ethyl (7E)-7-[(2S)-2-octyl-5-oxo-cyclopent-3-en-1-ylidene]heptanoate CAS Name: (7E)-7-[(2S)-2-octyl-5-oxo-1-cyclopent-3-enylidene]heptanoic acid ethyl ester IUPAC Name: ethyl (7E)-7-[(2S)-2-octyl-5-oxocyclopent-3-en-1-ylidene]heptanoate Traditional Name: (7E)-7-[(5S)-2-keto-5-octyl-cyclopent-3-en-1-ylidene]enanthic acid ethyl ester Formula: C22H36O3 MolecularWeight: 348.51944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(=O)C1=CCCCCCC(=O)OCC

Isomeric SMILES

CCCCCCCC[C@H]\1C=CC(=O)/C1=C/CCCCCC(=O)OCC

InChI

InChI=1S/C22H36O3/c1-3-5-6-7-8-11-14-19-17-18-21(23)20(19)15-12-9-10-13-16-22(24)25-4-2/h15,17-19H,3-14,16H2,1-2H3/b20-15+/t19-/m0/s1