barium(2+); 2,4,6-trinitrobenzene-1,3-diolate

Systemtic Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate Openeye Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate CAS Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate IUPAC Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate Traditional Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate Formula: C6HBaN3O8 MolecularWeight: 380.41444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O8.Ba/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2