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

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] octanoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) octanoate CAS Name: octanoic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) octanoate Traditional Name: caprylic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C15H17Br2NO2 MolecularWeight: 403.10898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br

InChI

InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3