ethyl (E)-3,3-dimethyl-7-[(1R,2S)-2-octyl-5-oxidanylidene-cyclopentyl]hept-4-enoate

Systemtic Name: ethyl (E)-3,3-dimethyl-7-[(1R,2S)-2-octyl-5-oxidanylidene-cyclopentyl]hept-4-enoate Openeye Name: ethyl (E)-3,3-dimethyl-7-[(1R,2S)-2-octyl-5-oxo-cyclopentyl]hept-4-enoate CAS Name: (E)-3,3-dimethyl-7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-4-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3,3-dimethyl-7-[(1R,2S)-2-octyl-5-oxocyclopentyl]hept-4-enoate Traditional Name: (E)-7-[(1R,5S)-2-keto-5-octyl-cyclopentyl]-3,3-dimethyl-hept-4-enoic acid ethyl ester Formula: C24H42O3 MolecularWeight: 378.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=O)C1CCC=CC(C)(C)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H42O3/c1-5-7-8-9-10-11-14-20-16-17-22(25)21(20)15-12-13-18-24(3,4)19-23(26)27-6-2/h13,18,20-21H,5-12,14-17,19H2,1-4H3/b18-13+/t20-,21+/m0/s1