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

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] 2-(4-octoxyphenoxy)ethanoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) 2-(4-octoxyphenoxy)acetate CAS Name: 2-(4-octoxyphenoxy)acetic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) 2-(4-octoxyphenoxy)acetate Traditional Name: 2-(4-octoxyphenoxy)acetic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C23H25Br2NO4 MolecularWeight: 539.2569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

InChI

InChI=1S/C23H25Br2NO4/c1-2-3-4-5-6-7-12-28-18-8-10-19(11-9-18)29-16-22(27)30-23-20(24)13-17(15-26)14-21(23)25/h8-11,13-14H,2-7,12,16H2,1H3