methyl 7-[(1R,5S)-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O

InChI

InChI=1S/C21H34O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h13-19,22H,3-12H2,1-2H3/b15-13+/t17-,18?,19+/m0/s1