methyl 2-butanoyl-5,5-dimethyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl 2-butanoyl-5,5-dimethyl-4-oxidanylidene-hexanoate Openeye Name: methyl 2-butanoyl-5,5-dimethyl-4-oxo-hexanoate CAS Name: 5,5-dimethyl-4-oxo-2-(1-oxobutyl)hexanoic acid methyl ester IUPAC Name: methyl 2-butanoyl-5,5-dimethyl-4-oxohexanoate Traditional Name: 2-butyryl-4-keto-5,5-dimethyl-hexanoic acid methyl ester Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O4/c1-6-7-10(14)9(12(16)17-5)8-11(15)13(2,3)4/h9H,6-8H2,1-5H3