bis(1-oxidanylbenzotriazol-1-ium-1-yl)methanone

Systemtic Name: bis(1-oxidanylbenzotriazol-1-ium-1-yl)methanone Openeye Name: bis(1-hydroxybenzotriazol-1-ium-1-yl)methanone CAS Name: bis(1-hydroxy-1-benzotriazol-1-iumyl)methanone IUPAC Name: bis(1-hydroxybenzotriazol-1-ium-1-yl)methanone Traditional Name: bis(1-hydroxybenzotriazol-1-ium-1-yl)methanone Formula: C13H10N6O3+2 MolecularWeight: 298.2569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=N[N+]2(C(=O)[N+]3(C4=CC=CC=C4N=N3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=N[N+]2(C(=O)[N+]3(C4=CC=CC=C4N=N3)O)O

InChI

InChI=1S/C13H10N6O3/c20-13(18(21)11-7-3-1-5-9(11)14-16-18)19(22)12-8-4-2-6-10(12)15-17-19/h1-8,21-22H/q+2