pyridin-4-yl benzoate; 2,4,6-trinitrophenol

Systemtic Name: pyridin-4-yl benzoate; 2,4,6-trinitrophenol Openeye Name: picric acid; 4-pyridyl benzoate CAS Name: benzoic acid pyridin-4-yl ester; 2,4,6-trinitrophenol IUPAC Name: pyridin-4-yl benzoate; 2,4,6-trinitrophenol Traditional Name: benzoic acid 4-pyridyl ester; picric acid Formula: C18H12N4O9 MolecularWeight: 428.30928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9NO2.C6H3N3O7/c14-12(10-4-2-1-3-5-10)15-11-6-8-13-9-7-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H;1-2,10H