methyl 7-[(1S,5E)-4-oxidanylidene-5-[(3S)-3-oxidanyloctylidene]cyclopent-2-en-1-yl]heptanoate

Systemtic Name: methyl 7-[(1S,5E)-4-oxidanylidene-5-[(3S)-3-oxidanyloctylidene]cyclopent-2-en-1-yl]heptanoate Openeye Name: methyl 7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-cyclopent-2-en-1-yl]heptanoate CAS Name: 7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-1-cyclopent-2-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]heptanoate Traditional Name: 7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-keto-cyclopent-2-en-1-yl]enanthic acid methyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=C1C(C=CC1=O)CCCCCCC(=O)OC)O

Isomeric SMILES

CCCCC[C@@H](C/C=C/1\[C@H](C=CC1=O)CCCCCCC(=O)OC)O

InChI

InChI=1S/C21H34O4/c1-3-4-7-11-18(22)14-15-19-17(13-16-20(19)23)10-8-5-6-9-12-21(24)25-2/h13,15-18,22H,3-12,14H2,1-2H3/b19-15+/t17-,18-/m0/s1