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

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-4-yl)pyridin-1-ium-3-olate; 2,4,6-trinitrophenol Openeye Name: 1-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium-3-olate; picric acid CAS Name: 1-(1-oxido-4-pyridin-1-iumyl)-3-pyridin-1-iumolate; 2,4,6-trinitrophenol IUPAC Name: 1-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium-3-olate; 2,4,6-trinitrophenol Traditional Name: 1-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium-3-olate; picric acid Formula: C16H11N5O9 MolecularWeight: 417.28664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2=CC=[N+](C=C2)[O-])[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)C2=CC=[N+](C=C2)[O-])[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O2.C6H3N3O7/c13-10-2-1-5-11(8-10)9-3-6-12(14)7-4-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;1-2,10H