6,6-dimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 6,6-dimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione Openeye Name: 6,6-dimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione CAS Name: 6,6-dimethyl-2-(2-methyl-1-oxopropyl)cyclohex-4-ene-1,3-dione IUPAC Name: 6,6-dimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione Traditional Name: 2-isobutyryl-6,6-dimethyl-cyclohex-4-ene-1,3-quinone Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1C(=O)C=CC(C1=O)(C)C

Isomeric SMILES

CC(C)C(=O)C1C(=O)C=CC(C1=O)(C)C

InChI

InChI=1S/C12H16O3/c1-7(2)10(14)9-8(13)5-6-12(3,4)11(9)15/h5-7,9H,1-4H3