[2,6-bis(bromanyl)-4-cyano-phenyl] 2-(3-heptoxyphenoxy)ethanoate

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] 2-(3-heptoxyphenoxy)ethanoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) 2-(3-heptoxyphenoxy)acetate CAS Name: 2-(3-heptoxyphenoxy)acetic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) 2-(3-heptoxyphenoxy)acetate Traditional Name: 2-(3-heptoxyphenoxy)acetic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C22H23Br2NO4 MolecularWeight: 525.23032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

InChI

InChI=1S/C22H23Br2NO4/c1-2-3-4-5-6-10-27-17-8-7-9-18(13-17)28-15-21(26)29-22-19(23)11-16(14-25)12-20(22)24/h7-9,11-13H,2-6,10,15H2,1H3