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

Systemtic Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diol Openeye Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diol CAS Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diol Traditional Name: barium(2+); 2,4,6-trinitroresorcinol Formula: C6H3BaN3O8+2 MolecularWeight: 382.43032

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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