4-[4-cyano-3-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]benzoic acid CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]benzoic acid Formula: C15H8F3NO2 MolecularWeight: 291.22473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H8F3NO2/c16-15(17,18)13-7-11(5-6-12(13)8-19)9-1-3-10(4-2-9)14(20)21/h1-7H,(H,20,21)