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

Systemtic Name: ethyl (E)-7-[(1R,5S)-5-octyl-2-oxidanylidene-3-phenyl-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,5S)-5-octyl-2-oxo-3-phenyl-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,5S)-5-octyl-2-oxo-3-phenylcyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,5S)-5-octyl-2-oxo-3-phenylcyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,5S)-2-keto-5-octyl-3-phenyl-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(C(=O)C1CCCCC=CC(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[C@H]1CC(C(=O)[C@@H]1CCCC/C=C/C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C28H42O3/c1-3-5-6-7-8-12-19-24-22-26(23-17-13-11-14-18-23)28(30)25(24)20-15-9-10-16-21-27(29)31-4-2/h11,13-14,16-18,21,24-26H,3-10,12,15,19-20,22H2,1-2H3/b21-16+/t24-,25+,26?/m0/s1