2H-benzotriazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2H-benzotriazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2H-benzotriazol-1-ium; trifluoromethanesulfonate CAS Name: 2H-benzotriazol-1-ium; trifluoromethanesulfonate IUPAC Name: 2H-benzotriazol-1-ium; trifluoromethanesulfonate Traditional Name: 2H-benzotriazol-1-ium triflate Formula: C7H6F3N3O3S MolecularWeight: 269.20105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5N3.CHF3O3S/c1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)8(5,6)7/h1-4H,(H,7,8,9);(H,5,6,7)