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

Systemtic Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate; hydrate Openeye Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate; hydrate CAS Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate; hydrate IUPAC Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate; hydrate Traditional Name: barium(2+); 2,4,6-trinitrobenzene-1,3-diolate; hydrate Formula: C6H3BaN3O9 MolecularWeight: 398.42972

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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-].O.[Ba+2]

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O8.Ba.H2O/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;/h1,10-11H;;1H2/q;+2;/p-2