methyl (2E)-2-[(E)-but-2-enylidene]-7-oxidanylidene-heptanoate

Systemtic Name: methyl (2E)-2-[(E)-but-2-enylidene]-7-oxidanylidene-heptanoate Openeye Name: methyl (2E)-2-[(E)-but-2-enylidene]-7-oxo-heptanoate CAS Name: (2E)-2-[(E)-but-2-enylidene]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(E)-but-2-enylidene]-7-oxoheptanoate Traditional Name: (2E,4E)-2-(5-ketopentyl)hexa-2,4-dienoic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=C(CCCCC=O)C(=O)OC

Isomeric SMILES

C/C=C/C=C(\CCCCC=O)/C(=O)OC

InChI

InChI=1S/C12H18O3/c1-3-4-8-11(12(14)15-2)9-6-5-7-10-13/h3-4,8,10H,5-7,9H2,1-2H3/b4-3+,11-8+