5-oxidanylidenepentan-2-yl 3,3,3-tris(chloranyl)propanoate

Systemtic Name: 5-oxidanylidenepentan-2-yl 3,3,3-tris(chloranyl)propanoate Openeye Name: (1-methyl-4-oxo-butyl) 3,3,3-trichloropropanoate CAS Name: 3,3,3-trichloropropanoic acid 5-oxopentan-2-yl ester IUPAC Name: 5-oxopentan-2-yl 3,3,3-trichloropropanoate Traditional Name: 3,3,3-trichloropropionic acid (4-keto-1-methyl-butyl) ester Formula: C8H11Cl3O3 MolecularWeight: 261.53014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=O)OC(=O)CC(Cl)(Cl)Cl

Isomeric SMILES

CC(CCC=O)OC(=O)CC(Cl)(Cl)Cl

InChI

InChI=1S/C8H11Cl3O3/c1-6(3-2-4-12)14-7(13)5-8(9,10)11/h4,6H,2-3,5H2,1H3