2-[(4-nitrophenyl)methyl]-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 2-[(4-nitrophenyl)methyl]-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: 2-[(4-nitrophenyl)methyl]-1-oxido-pyridin-1-ium; picric acid CAS Name: 2-[(4-nitrophenyl)methyl]-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 2-[(4-nitrophenyl)methyl]-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: 2-(4-nitrobenzyl)-1-oxido-pyridin-1-ium; picric acid Formula: C18H13N5O10 MolecularWeight: 459.32332

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C12H10N2O3.C6H3N3O7/c15-13-8-2-1-3-12(13)9-10-4-6-11(7-5-10)14(16)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H,9H2;1-2,10H