4,4-dimethyl-1-oxidanyl-2-[2,4,5-tris(chloranyl)phenoxy]pentan-3-one

Systemtic Name: 4,4-dimethyl-1-oxidanyl-2-[2,4,5-tris(chloranyl)phenoxy]pentan-3-one Openeye Name: 1-hydroxy-4,4-dimethyl-2-(2,4,5-trichlorophenoxy)pentan-3-one CAS Name: 1-hydroxy-4,4-dimethyl-2-(2,4,5-trichlorophenoxy)-3-pentanone IUPAC Name: 1-hydroxy-4,4-dimethyl-2-(2,4,5-trichlorophenoxy)pentan-3-one Traditional Name: 1-hydroxy-4,4-dimethyl-2-(2,4,5-trichlorophenoxy)pentan-3-one Formula: C13H15Cl3O3 MolecularWeight: 325.6154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CO)OC1=CC(=C(C=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(CO)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C13H15Cl3O3/c1-13(2,3)12(18)11(6-17)19-10-5-8(15)7(14)4-9(10)16/h4-5,11,17H,6H2,1-3H3