methyl (E)-7-[2-oxidanylidene-5-[(1E,5E)-3-oxidanylocta-1,5-dienyl]cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-oxidanylidene-5-[(1E,5E)-3-oxidanylocta-1,5-dienyl]cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-keto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C=CC1CCC(=O)C1CC=CCCCC(=O)OC)O

Isomeric SMILES

CC/C=C/CC(/C=C/C1CCC(=O)C1C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C21H32O4/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/h4-5,7-8,13,15,17-19,22H,3,6,9-12,14,16H2,1-2H3/b7-4+,8-5+,15-13+