(4-cyanophenyl) 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (4-cyanophenyl) 3,5-bis(trifluoromethyl)benzoate Openeye Name: (4-cyanophenyl) 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (4-cyanophenyl) ester Formula: C16H7F6NO2 MolecularWeight: 359.222699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H7F6NO2/c17-15(18,19)11-5-10(6-12(7-11)16(20,21)22)14(24)25-13-3-1-9(8-23)2-4-13/h1-7H