(5-azaniumyl-2,4-dimethanoyl-phenyl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: (5-azaniumyl-2,4-dimethanoyl-phenyl)azanium; 2,4,6-trinitrophenolate Openeye Name: (5-azaniumyl-2,4-diformyl-phenyl)ammonium; 2,4,6-trinitrophenolate CAS Name: (5-ammonio-2,4-diformylphenyl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: (5-azaniumyl-2,4-diformylphenyl)azanium; 2,4,6-trinitrophenolate Traditional Name: (5-ammonio-2,4-diformyl-phenyl)ammonium dipicrate Formula: C20H14N8O16 MolecularWeight: 622.36916

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Descriptors Computed from Structure

Canonical SMILES:

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-].C1=C(C(=CC(=C1C=O)[NH3+])[NH3+])C=O

Isomeric SMILES

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-].C1=C(C(=CC(=C1C=O)[NH3+])[NH3+])C=O

InChI

InChI=1S/C8H8N2O2.2C6H3N3O7/c9-7-2-8(10)6(4-12)1-5(7)3-11;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,9-10H2;2*1-2,10H