pyridin-3-ylmethanol; 2,4,6-trinitrophenol

Systemtic Name: pyridin-3-ylmethanol; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-pyridylmethanol CAS Name: 3-pyridinylmethanol; 2,4,6-trinitrophenol IUPAC Name: pyridin-3-ylmethanol; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-pyridylmethanol Formula: C12H10N4O8 MolecularWeight: 338.2298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H7NO/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;8-5-6-2-1-3-7-4-6/h1-2,10H;1-4,8H,5H2