2-[[3,4,5-tris(trifluoromethyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,4,5-tris(trifluoromethyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,4,5-tris(trifluoromethyl)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[3,4,5-tris(trifluoromethyl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[3,4,5-tris(trifluoromethyl)benzoyl]amino]acetic acid Traditional Name: 2-[[3,4,5-tris(trifluoromethyl)benzoyl]amino]acetic acid Formula: C12H6F9NO3 MolecularWeight: 383.166569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6F9NO3/c13-10(14,15)5-1-4(9(25)22-3-7(23)24)2-6(11(16,17)18)8(5)12(19,20)21/h1-2H,3H2,(H,22,25)(H,23,24)