2,4,8,10-tetranitro-1,7-dihydrobenzotriazolo[2,1-a]benzotriazol-6-ium hydroxide

Systemtic Name: 2,4,8,10-tetranitro-1,7-dihydrobenzotriazolo[2,1-a]benzotriazol-6-ium hydroxide Openeye Name: 2,4,8,10-tetranitro-1,7-dihydrobenzotriazolo[2,1-a]benzotriazol-6-ium hydroxide CAS Name: 2,4,8,10-tetranitro-1,7-dihydrobenzotriazolo[2,1-a]benzotriazol-6-ium hydroxide IUPAC Name: 2,4,8,10-tetranitro-1,7-dihydrobenzotriazolo[2,1-a]benzotriazol-6-ium hydroxide Traditional Name: 2,4,8,10-tetranitro-1,7-dihydrobenzotriazolo[2,1-a]benzotriazol-6-ium hydroxide Formula: C12H8N8O9 MolecularWeight: 408.24012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=C2C1=[NH+]N3N2N=C4C3=C(C=C(C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[OH-]

Isomeric SMILES

C1C(=CC(=C2C1=[NH+]N3N2N=C4C3=C(C=C(C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[OH-]

InChI

InChI=1S/C12H6N8O8.H2O/c21-17(22)5-1-7-11(9(3-5)19(25)26)15-14-8-2-6(18(23)24)4-10(20(27)28)12(8)16(15)13-7;/h3-4H,1-2H2;1H2