1,4-diazabicyclo[2.2.2]octane; 2,4,6-trinitrophenol

Systemtic Name: 1,4-diazabicyclo[2.2.2]octane; 2,4,6-trinitrophenol Openeye Name: 1,4-diazabicyclo[2.2.2]octane; picric acid CAS Name: 1,4-diazabicyclo[2.2.2]octane; 2,4,6-trinitrophenol IUPAC Name: 1,4-diazabicyclo[2.2.2]octane; 2,4,6-trinitrophenol Traditional Name: 1,4-diazabicyclo[2.2.2]octane; picric acid Formula: C18H18N8O14 MolecularWeight: 570.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN2CCN1CC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/2C6H3N3O7.C6H12N2/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-8-5-3-7(1)4-6-8/h2*1-2,10H;1-6H2