methyl 2-butanoyl-4-oxidanylidene-heptanoate

Systemtic Name: methyl 2-butanoyl-4-oxidanylidene-heptanoate Openeye Name: methyl 2-butanoyl-4-oxo-heptanoate CAS Name: 4-oxo-2-(1-oxobutyl)heptanoic acid methyl ester IUPAC Name: methyl 2-butanoyl-4-oxoheptanoate Traditional Name: 2-butyryl-4-keto-enanthic acid methyl ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(C(=O)CCC)C(=O)OC

Isomeric SMILES

CCCC(=O)CC(C(=O)CCC)C(=O)OC

InChI

InChI=1S/C12H20O4/c1-4-6-9(13)8-10(12(15)16-3)11(14)7-5-2/h10H,4-8H2,1-3H3