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

Systemtic Name: 4-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol Openeye Name: 4-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol; picric acid CAS Name: 4-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol IUPAC Name: 4-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol Traditional Name: 8-methyl-4-methylol-8-azabicyclo[3.2.1]octan-3-ol; picric acid Formula: C15H20N4O9 MolecularWeight: 400.3407

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)O)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2CCC1C(C(C2)O)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H17NO2.C6H3N3O7/c1-10-6-2-3-8(10)7(5-11)9(12)4-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,11-12H,2-5H2,1H3;1-2,10H