2-(2-methylpropanoyl)cyclohexane-1,3-dione

Systemtic Name: 2-(2-methylpropanoyl)cyclohexane-1,3-dione Openeye Name: 2-(2-methylpropanoyl)cyclohexane-1,3-dione CAS Name: 2-(2-methyl-1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 2-(2-methylpropanoyl)cyclohexane-1,3-dione Traditional Name: 2-isobutyrylcyclohexane-1,3-quinone Formula: C10H14O3 MolecularWeight: 182.21636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1C(=O)CCCC1=O

Isomeric SMILES

CC(C)C(=O)C1C(=O)CCCC1=O

InChI

InChI=1S/C10H14O3/c1-6(2)10(13)9-7(11)4-3-5-8(9)12/h6,9H,3-5H2,1-2H3