2-(2,4,6-trinitrophenyl)benzotriazole

Systemtic Name: 2-(2,4,6-trinitrophenyl)benzotriazole Openeye Name: 2-(2,4,6-trinitrophenyl)benzotriazole CAS Name: 2-(2,4,6-trinitrophenyl)benzotriazole IUPAC Name: 2-(2,4,6-trinitrophenyl)benzotriazole Traditional Name: 2-picrylbenzotriazole Formula: C12H6N6O6 MolecularWeight: 330.21264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N6O6/c19-16(20)7-5-10(17(21)22)12(11(6-7)18(23)24)15-13-8-3-1-2-4-9(8)14-15/h1-6H