2H-benzotriazol-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2H-benzotriazol-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2H-benzotriazol-1-ium; 2,2,2-trifluoroacetate CAS Name: 2H-benzotriazol-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 2H-benzotriazol-1-ium; 2,2,2-trifluoroacetate Traditional Name: 2H-benzotriazol-1-ium; 2,2,2-trifluoroacetate Formula: C8H6F3N3O2 MolecularWeight: 233.14735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[NH+]NN=C2C=C1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC2=[NH+]NN=C2C=C1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C6H5N3.C2HF3O2/c1-2-4-6-5(3-1)7-9-8-6;3-2(4,5)1(6)7/h1-4H,(H,7,8,9);(H,6,7)