[2,3,5-tris(chloranyl)-4,6-dicyano-phenyl] 4-methylpentanoate

Systemtic Name: [2,3,5-tris(chloranyl)-4,6-dicyano-phenyl] 4-methylpentanoate Openeye Name: (2,3,5-trichloro-4,6-dicyano-phenyl) 4-methylpentanoate CAS Name: 4-methylpentanoic acid (2,3,5-trichloro-4,6-dicyanophenyl) ester IUPAC Name: (2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate Traditional Name: 4-methylvaleric acid (2,3,5-trichloro-4,6-dicyano-phenyl) ester Formula: C14H11Cl3N2O2 MolecularWeight: 345.60834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Cl3N2O2/c1-7(2)3-4-10(20)21-14-9(6-19)11(15)8(5-18)12(16)13(14)17/h7H,3-4H2,1-2H3