(4-cyano-2-oxidanyl-phenyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (4-cyano-2-oxidanyl-phenyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (4-cyano-2-hydroxy-phenyl)ammonium; 2,2,2-trifluoroacetate CAS Name: (4-cyano-2-hydroxyphenyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: (4-cyano-2-hydroxyphenyl)azanium; 2,2,2-trifluoroacetate Traditional Name: (4-cyano-2-hydroxy-phenyl)ammonium; 2,2,2-trifluoroacetate Formula: C9H7F3N2O3 MolecularWeight: 248.15869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)O)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)O)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H6N2O.C2HF3O2/c8-4-5-1-2-6(9)7(10)3-5;3-2(4,5)1(6)7/h1-3,10H,9H2;(H,6,7)