2-(2-methylphenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 2-(2-methylphenyl)carbonylcyclohexane-1,3-dione Openeye Name: 2-(2-methylbenzoyl)cyclohexane-1,3-dione CAS Name: 2-[(2-methylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(2-methylbenzoyl)cyclohexane-1,3-dione Traditional Name: 2-o-toluoylcyclohexane-1,3-quinone Formula: C14H14O3 MolecularWeight: 230.25916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2C(=O)CCCC2=O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2C(=O)CCCC2=O

InChI

InChI=1S/C14H14O3/c1-9-5-2-3-6-10(9)14(17)13-11(15)7-4-8-12(13)16/h2-3,5-6,13H,4,7-8H2,1H3