3-chloranylbutyl 2,2-bis(chloranyl)ethanoate

Systemtic Name: 3-chloranylbutyl 2,2-bis(chloranyl)ethanoate Openeye Name: 3-chlorobutyl 2,2-dichloroacetate CAS Name: 2,2-dichloroacetic acid 3-chlorobutyl ester IUPAC Name: 3-chlorobutyl 2,2-dichloroacetate Traditional Name: 2,2-dichloroacetic acid 3-chlorobutyl ester Formula: C6H9Cl3O2 MolecularWeight: 219.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C(Cl)Cl)Cl

Isomeric SMILES

CC(CCOC(=O)C(Cl)Cl)Cl

InChI

InChI=1S/C6H9Cl3O2/c1-4(7)2-3-11-6(10)5(8)9/h4-5H,2-3H2,1H3