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

Systemtic Name: ethyl (E)-7-[(1R,5S)-2-oxidanylidene-5-(5-oxidanyloctyl)cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2S)-2-(5-hydroxyoctyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-(5-hydroxyoctyl)-5-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2S)-2-(5-hydroxyoctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-(5-hydroxyoctyl)-5-keto-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C22H38O4 MolecularWeight: 366.53472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCC1CCC(=O)C1CCCCC=CC(=O)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H38O4/c1-3-11-19(23)13-10-9-12-18-16-17-21(24)20(18)14-7-5-6-8-15-22(25)26-4-2/h8,15,18-20,23H,3-7,9-14,16-17H2,1-2H3/b15-8+/t18-,19?,20+/m0/s1