5-[(3-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(3-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(3-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-(3-chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H13ClO4 MolecularWeight: 268.69292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C13H13ClO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-4-3-5-9(14)6-8/h3-6,10H,7H2,1-2H3