2-butanoyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-butyryl-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)(C)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)(C)C

InChI

InChI=1S/C12H18O3/c1-4-5-8(13)11-9(14)6-12(2,3)7-10(11)15/h11H,4-7H2,1-3H3