(5-azaniumyl-2,4-dinitro-phenyl)azanium dibenzoate

Systemtic Name: (5-azaniumyl-2,4-dinitro-phenyl)azanium dibenzoate Openeye Name: (5-azaniumyl-2,4-dinitro-phenyl)ammonium dibenzoate CAS Name: (5-ammonio-2,4-dinitrophenyl)ammonium dibenzoate IUPAC Name: (5-azaniumyl-2,4-dinitrophenyl)azanium dibenzoate Traditional Name: (5-ammonio-2,4-dinitro-phenyl)ammonium dibenzoate Formula: C20H18N4O8 MolecularWeight: 442.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2.C6H6N4O4/c2*8-7(9)6-4-2-1-3-5-6;7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h2*1-5H,(H,8,9);1-2H,7-8H2