(4-chloranyl-3-nitro-phenyl)-[4-(4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium-2-yl)-2-nitro-phenyl]diazene

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-(4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium-2-yl)-2-nitro-phenyl]diazene Openeye Name: (4-chloro-3-nitro-phenyl)-[4-(4,6-dinitro-1-oxido-benzotriazol-1-ium-2-yl)-2-nitro-phenyl]diazene CAS Name: (4-chloro-3-nitrophenyl)-[4-(4,6-dinitro-1-oxido-2-benzotriazol-1-iumyl)-2-nitrophenyl]diazene IUPAC Name: (4-chloro-3-nitrophenyl)-[4-(4,6-dinitro-1-oxidobenzotriazol-1-ium-2-yl)-2-nitrophenyl]diazene Traditional Name: (4-chloro-3-nitro-phenyl)-[4-(4,6-dinitro-1-oxido-benzotriazol-1-ium-2-yl)-2-nitro-phenyl]diazene Formula: C18H8ClN9O9 MolecularWeight: 529.76402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)N3N=C4C(=CC(=CC4=[N+]3[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)N3N=C4C(=CC(=CC4=[N+]3[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H8ClN9O9/c19-12-3-1-9(5-14(12)26(32)33)20-21-13-4-2-10(6-15(13)27(34)35)23-22-18-16(24(23)29)7-11(25(30)31)8-17(18)28(36)37/h1-8H