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

Systemtic Name: ethyl (E)-7-[(1R,5S)-2-oxidanylidene-5-(4-oxidanyloctyl)cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2S)-2-(4-hydroxyoctyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-(4-hydroxyoctyl)-5-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2S)-2-(4-hydroxyoctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-(4-hydroxyoctyl)-5-keto-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C22H38O4 MolecularWeight: 366.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC1CCC(=O)C1CCCCC=CC(=O)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H38O4/c1-3-5-12-19(23)13-10-11-18-16-17-21(24)20(18)14-8-6-7-9-15-22(25)26-4-2/h9,15,18-20,23H,3-8,10-14,16-17H2,1-2H3/b15-9+/t18-,19?,20+/m0/s1