4,4-dimethyl-2-(4-methylphenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(4-methylphenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 4,4-dimethyl-2-(4-methylbenzoyl)cyclohexane-1,3-dione CAS Name: 4,4-dimethyl-2-[(4-methylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4,4-dimethyl-2-(4-methylbenzoyl)cyclohexane-1,3-dione Traditional Name: 4,4-dimethyl-2-p-toluoyl-cyclohexane-1,3-quinone Formula: C16H18O3 MolecularWeight: 258.31232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(=O)CCC(C2=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(=O)CCC(C2=O)(C)C

InChI

InChI=1S/C16H18O3/c1-10-4-6-11(7-5-10)14(18)13-12(17)8-9-16(2,3)15(13)19/h4-7,13H,8-9H2,1-3H3