1-oxidanyl-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 1-oxidanyl-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: 1-hydroxy-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; picric acid CAS Name: 1-hydroxy-3-(1-pyridin-1-iumylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 1-hydroxy-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: 1-hydroxy-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; picric acid Formula: C23H18N8O15+2 MolecularWeight: 646.43362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C[N+](=CC=C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C[N+](=CC=C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O.2C6H3N3O7/c14-13-8-4-5-11(10-13)9-12-6-2-1-3-7-12;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8,10,14H,9H2;2*1-2,10H/q+2;;