barium(2+); 2,4-dinitro-3-nitrooxy-5-oxidanyl-benzoate

Systemtic Name: barium(2+); 2,4-dinitro-3-nitrooxy-5-oxidanyl-benzoate Openeye Name: barium(2+); 5-hydroxy-2,4-dinitro-3-nitrooxy-benzoate CAS Name: barium(2+); 5-hydroxy-2,4-dinitro-3-nitrooxybenzoate IUPAC Name: barium(2+); 5-hydroxy-2,4-dinitro-3-nitrooxybenzoate Traditional Name: barium(2+); 5-hydroxy-2,4-dinitro-3-nitrooxy-benzoate Formula: C14H4Ba3N6O20+4 MolecularWeight: 988.19076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/2C7H3N3O10.3Ba/c2*11-3-1-2(7(12)13)4(8(14)15)6(20-10(18)19)5(3)9(16)17;;;/h2*1,11H,(H,12,13);;;/q;;3*+2/p-2