methyl 7-[2-(8-methoxy-3-oxidanylidene-octyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-ynoate

Systemtic Name: methyl 7-[2-(8-methoxy-3-oxidanylidene-octyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-ynoate Openeye Name: methyl 7-[3-hydroxy-2-(8-methoxy-3-oxo-octyl)-5-oxo-cyclopentyl]hept-5-ynoate CAS Name: 7-[3-hydroxy-2-(8-methoxy-3-oxooctyl)-5-oxocyclopentyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[3-hydroxy-2-(8-methoxy-3-oxooctyl)-5-oxocyclopentyl]hept-5-ynoate Traditional Name: 7-[3-hydroxy-5-keto-2-(3-keto-8-methoxy-octyl)cyclopentyl]hept-5-ynoic acid methyl ester Formula: C22H34O6 MolecularWeight: 394.50176

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCC(=O)CCC1C(CC(=O)C1CC#CCCCC(=O)OC)O

Isomeric SMILES

COCCCCCC(=O)CCC1C(CC(=O)C1CC#CCCCC(=O)OC)O

InChI

InChI=1S/C22H34O6/c1-27-15-9-5-6-10-17(23)13-14-19-18(20(24)16-21(19)25)11-7-3-4-8-12-22(26)28-2/h18-19,21,25H,4-6,8-16H2,1-2H3