5,5-dimethyl-2-phenacyl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-phenacyl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-phenacyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-phenacylcyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-phenacylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-phenacyl-cyclohexane-1,3-quinone Formula: C16H18O3 MolecularWeight: 258.31232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O3/c1-16(2)9-14(18)12(15(19)10-16)8-13(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3