methyl (7E)-7-(2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoate

Systemtic Name: methyl (7E)-7-(2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoate Openeye Name: methyl (7E)-7-(2-hydroxy-2-octyl-5-oxo-cyclopent-3-en-1-ylidene)heptanoate CAS Name: (7E)-7-(2-hydroxy-2-octyl-5-oxo-1-cyclopent-3-enylidene)heptanoic acid methyl ester IUPAC Name: methyl (7E)-7-(2-hydroxy-2-octyl-5-oxocyclopent-3-en-1-ylidene)heptanoate Traditional Name: (7E)-7-(2-hydroxy-5-keto-2-octyl-cyclopent-3-en-1-ylidene)enanthic acid methyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(=O)C1=CCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCCCCC\1(C=CC(=O)/C1=C/CCCCCC(=O)OC)O

InChI

InChI=1S/C21H34O4/c1-3-4-5-6-9-12-16-21(24)17-15-19(22)18(21)13-10-7-8-11-14-20(23)25-2/h13,15,17,24H,3-12,14,16H2,1-2H3/b18-13-