3,4,5-trinitrobenzene-1,2-diamine

Systemtic Name: 3,4,5-trinitrobenzene-1,2-diamine Openeye Name: 3,4,5-trinitrobenzene-1,2-diamine CAS Name: 3,4,5-trinitrobenzene-1,2-diamine IUPAC Name: 3,4,5-trinitrobenzene-1,2-diamine Traditional Name: (2-amino-3,4,5-trinitro-phenyl)amine Formula: C6H5N5O6 MolecularWeight: 243.1338

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N)N

Isomeric SMILES

C1=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N)N

InChI

InChI=1S/C6H5N5O6/c7-2-1-3(9(12)13)5(10(14)15)6(4(2)8)11(16)17/h1H,7-8H2