ethyl 3-[(1S,5S)-2-oxidanylidene-5-(3-oxidanyloctyl)cyclopent-3-en-1-yl]propanoate

Systemtic Name: ethyl 3-[(1S,5S)-2-oxidanylidene-5-(3-oxidanyloctyl)cyclopent-3-en-1-yl]propanoate Openeye Name: ethyl 3-[(1S,2S)-2-(3-hydroxyoctyl)-5-oxo-cyclopent-3-en-1-yl]propanoate CAS Name: 3-[(1S,2S)-2-(3-hydroxyoctyl)-5-oxo-1-cyclopent-3-enyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1S,2S)-2-(3-hydroxyoctyl)-5-oxocyclopent-3-en-1-yl]propanoate Traditional Name: 3-[(1S,2S)-2-(3-hydroxyoctyl)-5-keto-cyclopent-3-en-1-yl]propionic acid ethyl ester Formula: C18H30O4 MolecularWeight: 310.4284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C=CC(=O)C1CCC(=O)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H30O4/c1-3-5-6-7-15(19)10-8-14-9-12-17(20)16(14)11-13-18(21)22-4-2/h9,12,14-16,19H,3-8,10-11,13H2,1-2H3/t14-,15?,16-/m0/s1