2-[2,6-bis(bromanyl)-4-cyano-phenyl]octanoate

Systemtic Name: 2-[2,6-bis(bromanyl)-4-cyano-phenyl]octanoate Openeye Name: 2-(2,6-dibromo-4-cyano-phenyl)octanoate CAS Name: 2-(2,6-dibromo-4-cyanophenyl)octanoate IUPAC Name: 2-(2,6-dibromo-4-cyanophenyl)octanoate Traditional Name: 2-(2,6-dibromo-4-cyano-phenyl)caprylate Formula: C15H16Br2NO2- MolecularWeight: 402.10104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(C=C(C=C1Br)C#N)Br)C(=O)[O-]

Isomeric SMILES

CCCCCCC(C1=C(C=C(C=C1Br)C#N)Br)C(=O)[O-]

InChI

InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-11(15(19)20)14-12(16)7-10(9-18)8-13(14)17/h7-8,11H,2-6H2,1H3,(H,19,20)/p-1