[2,3,5,6-tetrakis(chloranyl)-4-cyano-phenyl] 2-ethylbutanoate

Systemtic Name: [2,3,5,6-tetrakis(chloranyl)-4-cyano-phenyl] 2-ethylbutanoate Openeye Name: (2,3,5,6-tetrachloro-4-cyano-phenyl) 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid (2,3,5,6-tetrachloro-4-cyanophenyl) ester IUPAC Name: (2,3,5,6-tetrachloro-4-cyanophenyl) 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid (2,3,5,6-tetrachloro-4-cyano-phenyl) ester Formula: C13H11Cl4NO2 MolecularWeight: 355.04394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

InChI

InChI=1S/C13H11Cl4NO2/c1-3-6(4-2)13(19)20-12-10(16)8(14)7(5-18)9(15)11(12)17/h6H,3-4H2,1-2H3