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

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-3-yl)ethanone; 2,4,6-trinitrophenol Openeye Name: 1-(1-oxidopyridin-1-ium-3-yl)ethanone; picric acid CAS Name: 1-(1-oxido-3-pyridin-1-iumyl)ethanone; 2,4,6-trinitrophenol IUPAC Name: 1-(1-oxidopyridin-1-ium-3-yl)ethanone; 2,4,6-trinitrophenol Traditional Name: 1-(1-oxidopyridin-1-ium-3-yl)ethanone; picric acid Formula: C13H10N4O9 MolecularWeight: 366.2399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C6H3N3O7/c1-6(9)7-3-2-4-8(10)5-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5H,1H3;1-2,10H