propyl 1-oxidanidylpyridin-1-ium-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: propyl 1-oxidanidylpyridin-1-ium-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: picric acid; propyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid propyl ester; 2,4,6-trinitrophenol IUPAC Name: propyl 1-oxidopyridin-1-ium-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid propyl ester; picric acid Formula: C15H14N4O10 MolecularWeight: 410.29246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.C6H3N3O7/c1-2-7-13-9(11)8-3-5-10(12)6-4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2,7H2,1H3;1-2,10H