4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzoic acid

Systemtic Name: 4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzoic acid Openeye Name: 4-(2,2,2-trifluoroethylcarbamoyl)benzoic acid CAS Name: 4-[oxo-(2,2,2-trifluoroethylamino)methyl]benzoic acid IUPAC Name: 4-(2,2,2-trifluoroethylcarbamoyl)benzoic acid Traditional Name: 4-(2,2,2-trifluoroethylcarbamoyl)benzoic acid Formula: C10H8F3NO3 MolecularWeight: 247.17063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(F)(F)F)C(=O)O

InChI

InChI=1S/C10H8F3NO3/c11-10(12,13)5-14-8(15)6-1-3-7(4-2-6)9(16)17/h1-4H,5H2,(H,14,15)(H,16,17)