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

Systemtic Name: [2,3,5,6-tetrakis(chloranyl)-4-cyano-phenyl] octanoate Openeye Name: (2,3,5,6-tetrachloro-4-cyano-phenyl) octanoate CAS Name: octanoic acid (2,3,5,6-tetrachloro-4-cyanophenyl) ester IUPAC Name: (2,3,5,6-tetrachloro-4-cyanophenyl) octanoate Traditional Name: caprylic acid (2,3,5,6-tetrachloro-4-cyano-phenyl) ester Formula: C15H15Cl4NO2 MolecularWeight: 383.0971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

InChI

InChI=1S/C15H15Cl4NO2/c1-2-3-4-5-6-7-10(21)22-15-13(18)11(16)9(8-20)12(17)14(15)19/h2-7H2,1H3