1-(1-oxidanidylpyridin-1-ium-2-yl)ethanone; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-2-yl)ethanone; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 1-(1-oxidopyridin-1-ium-2-yl)ethanone; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 1-(1-oxido-2-pyridin-1-iumyl)ethanone; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 1-(1-oxidopyridin-1-ium-2-yl)ethanone; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: 1-(1-oxidopyridin-1-ium-2-yl)ethanone; 2,4,6-trinitroresorcinol Formula: C13H10N4O10 MolecularWeight: 382.2393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=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/C7H7NO2.C6H3N3O8/c1-6(9)7-4-2-3-5-8(7)10;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h2-5H,1H3;1,10-11H