(3,3-dimethyl-2-oxidanylidene-butyl) 2,3,6-tris(chloranyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2,3,6-tris(chloranyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H13Cl3O3 MolecularWeight: 323.59952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C13H13Cl3O3/c1-13(2,3)9(17)6-19-12(18)10-7(14)4-5-8(15)11(10)16/h4-5H,6H2,1-3H3