2-ethanoyl-5-methyl-cyclohexane-1,3-dione

Systemtic Name: 2-ethanoyl-5-methyl-cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-methyl-cyclohexane-1,3-dione CAS Name: 2-acetyl-5-methylcyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-methylcyclohexane-1,3-dione Traditional Name: 2-acetyl-5-methyl-cyclohexane-1,3-quinone Formula: C9H12O3 MolecularWeight: 168.18978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(=O)C1)C(=O)C

Isomeric SMILES

CC1CC(=O)C(C(=O)C1)C(=O)C

InChI

InChI=1S/C9H12O3/c1-5-3-7(11)9(6(2)10)8(12)4-5/h5,9H,3-4H2,1-2H3