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

Systemtic Name: [2,3,5-tris(chloranyl)-4,6-dicyano-phenyl] octanoate Openeye Name: (2,3,5-trichloro-4,6-dicyano-phenyl) octanoate CAS Name: octanoic acid (2,3,5-trichloro-4,6-dicyanophenyl) ester IUPAC Name: (2,3,5-trichloro-4,6-dicyanophenyl) octanoate Traditional Name: caprylic acid (2,3,5-trichloro-4,6-dicyano-phenyl) ester Formula: C16H15Cl3N2O2 MolecularWeight: 373.6615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl3N2O2/c1-2-3-4-5-6-7-12(22)23-16-11(9-21)13(17)10(8-20)14(18)15(16)19/h2-7H2,1H3