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

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] 2-(3-hexoxyphenoxy)ethanoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) 2-(3-hexoxyphenoxy)acetate CAS Name: 2-(3-hexoxyphenoxy)acetic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) 2-(3-hexoxyphenoxy)acetate Traditional Name: 2-(3-hexoxyphenoxy)acetic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C21H21Br2NO4 MolecularWeight: 511.20374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

InChI

InChI=1S/C21H21Br2NO4/c1-2-3-4-5-9-26-16-7-6-8-17(12-16)27-14-20(25)28-21-18(22)10-15(13-24)11-19(21)23/h6-8,10-12H,2-5,9,14H2,1H3