(4-cyanophenyl) 3,5-bis(chloranyl)-4-heptoxy-benzoate

Systemtic Name: (4-cyanophenyl) 3,5-bis(chloranyl)-4-heptoxy-benzoate Openeye Name: (4-cyanophenyl) 3,5-dichloro-4-heptoxy-benzoate CAS Name: 3,5-dichloro-4-heptoxybenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3,5-dichloro-4-heptoxybenzoate Traditional Name: 3,5-dichloro-4-heptoxy-benzoic acid (4-cyanophenyl) ester Formula: C21H21Cl2NO3 MolecularWeight: 406.30234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)OC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)OC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C21H21Cl2NO3/c1-2-3-4-5-6-11-26-20-18(22)12-16(13-19(20)23)21(25)27-17-9-7-15(14-24)8-10-17/h7-10,12-13H,2-6,11H2,1H3