[4-(3-oxidanylidenebutyl)phenyl] 2,2-bis(chloranyl)ethanoate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,2-bis(chloranyl)ethanoate Openeye Name: [4-(3-oxobutyl)phenyl] 2,2-dichloroacetate CAS Name: 2,2-dichloroacetic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,2-dichloroacetate Traditional Name: 2,2-dichloroacetic acid [4-(3-ketobutyl)phenyl] ester Formula: C12H12Cl2O3 MolecularWeight: 275.12788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC(=O)C(Cl)Cl

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC(=O)C(Cl)Cl

InChI

InChI=1S/C12H12Cl2O3/c1-8(15)2-3-9-4-6-10(7-5-9)17-12(16)11(13)14/h4-7,11H,2-3H2,1H3