methyl (E)-7-[2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]hept-2-enoate

Systemtic Name: methyl (E)-7-[2-oxidanylidene-5-(3-oxidanyloctyl)cyclopentyl]hept-2-enoate Openeye Name: methyl (E)-7-[2-(3-hydroxyoctyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[2-(3-hydroxyoctyl)-5-oxocyclopentyl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-(3-hydroxyoctyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[2-(3-hydroxyoctyl)-5-keto-cyclopentyl]hept-2-enoic acid methyl ester Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1CCCCC=CC(=O)OC)O

Isomeric SMILES

CCCCCC(CCC1CCC(=O)C1CCCC/C=C/C(=O)OC)O

InChI

InChI=1S/C21H36O4/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/h9,12,17-19,22H,3-8,10-11,13-16H2,1-2H3/b12-9+