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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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