2,2-dimethyl-5-(3-oxidanylidene-1,3-diphenyl-propyl)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(3-oxidanylidene-1,3-diphenyl-propyl)-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(3-oxo-1,3-diphenyl-propyl)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(3-oxo-1,3-diphenylpropyl)-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(3-oxo-1,3-diphenylpropyl)-1,3-dioxane-4,6-dione Traditional Name: 5-(3-keto-1,3-diphenyl-propyl)-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H20O5 MolecularWeight: 352.3805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20O5/c1-21(2)25-19(23)18(20(24)26-21)16(14-9-5-3-6-10-14)13-17(22)15-11-7-4-8-12-15/h3-12,16,18H,13H2,1-2H3