4-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol

Systemtic Name: 4-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol Openeye Name: 4-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol; picric acid CAS Name: 4-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol IUPAC Name: 4-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol Traditional Name: 4-methylol-8-azabicyclo[3.2.1]octan-3-ol; picric acid Formula: C14H18N4O9 MolecularWeight: 386.31412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(CC1N2)O)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2C(C(CC1N2)O)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H15NO2.C6H3N3O7/c10-4-6-7-2-1-5(9-7)3-8(6)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-11H,1-4H2;1-2,10H