3-ethyl-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 3-ethyl-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: 3-ethyl-1-oxido-pyridin-1-ium; picric acid CAS Name: 3-ethyl-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 3-ethyl-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: 3-ethyl-1-oxido-pyridin-1-ium; picric acid Formula: C13H12N4O8 MolecularWeight: 352.25638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9NO.C6H3N3O7/c1-2-7-4-3-5-8(9)6-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2H2,1H3;1-2,10H