(4-methylphenyl) 2,2,4-tris(chloranyl)-4-cyano-butanoate

Systemtic Name: (4-methylphenyl) 2,2,4-tris(chloranyl)-4-cyano-butanoate Openeye Name: p-tolyl 2,2,4-trichloro-4-cyano-butanoate CAS Name: 2,2,4-trichloro-4-cyanobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2,2,4-trichloro-4-cyanobutanoate Traditional Name: 2,2,4-trichloro-4-cyano-butyric acid p-tolyl ester Formula: C12H10Cl3NO2 MolecularWeight: 306.5723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C(CC(C#N)Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C(CC(C#N)Cl)(Cl)Cl

InChI

InChI=1S/C12H10Cl3NO2/c1-8-2-4-10(5-3-8)18-11(17)12(14,15)6-9(13)7-16/h2-5,9H,6H2,1H3