2-methyl-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 2-methyl-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 2-methyl-1-oxido-pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 2-methyl-1-oxidopyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 2-methyl-1-oxidopyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: 2-methyl-1-oxido-pyridin-1-ium; 2,4,6-trinitroresorcinol Formula: C12H10N4O9 MolecularWeight: 354.2292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=[N+]1[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O8.C6H7NO/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;1-6-4-2-3-5-7(6)8/h1,10-11H;2-5H,1H3