3,4-bis[(3-methylphenyl)carbonyl]hexane-2,5-dione

Systemtic Name: 3,4-bis[(3-methylphenyl)carbonyl]hexane-2,5-dione Openeye Name: 3,4-bis(3-methylbenzoyl)hexane-2,5-dione CAS Name: 3,4-bis[(3-methylphenyl)-oxomethyl]hexane-2,5-dione IUPAC Name: 3,4-bis(3-methylbenzoyl)hexane-2,5-dione Traditional Name: 3,4-bis(m-toluoyl)hexane-2,5-dione Formula: C22H22O4 MolecularWeight: 350.40768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O4/c1-13-7-5-9-17(11-13)21(25)19(15(3)23)20(16(4)24)22(26)18-10-6-8-14(2)12-18/h5-12,19-20H,1-4H3