(E)-benzotriazol-1-yl-(1-oxidanylbenzotriazol-1-ium-1-yl)diazene hydrate

Systemtic Name: (E)-benzotriazol-1-yl-(1-oxidanylbenzotriazol-1-ium-1-yl)diazene hydrate Openeye Name: (E)-benzotriazol-1-yl-(1-hydroxybenzotriazol-1-ium-1-yl)diazene hydrate CAS Name: (E)-1-benzotriazolyl-(1-hydroxy-1-benzotriazol-1-iumyl)diazene hydrate IUPAC Name: (E)-benzotriazol-1-yl-(1-hydroxybenzotriazol-1-ium-1-yl)diazene hydrate Traditional Name: (E)-benzotriazol-1-yl-(1-hydroxybenzotriazol-1-ium-1-yl)diazene hydrate Formula: C12H11N8O2+ MolecularWeight: 299.26814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2N=N[N+]3(C4=CC=CC=C4N=N3)O.O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2/N=N/[N+]3(C4=CC=CC=C4N=N3)O.O

InChI

InChI=1S/C12H9N8O.H2O/c21-20(12-8-4-2-6-10(12)14-17-20)18-16-19-11-7-3-1-5-9(11)13-15-19;/h1-8,21H;1H2/q+1;/b18-16+;