barium(2+); 3-nitrophthalate

Systemtic Name: barium(2+); 3-nitrophthalate Openeye Name: barium(2+); 3-nitrophthalate CAS Name: barium(2+); 3-nitrophthalate IUPAC Name: barium(2+); 3-nitrophthalate Traditional Name: barium(2+); 3-nitrophthalate Formula: C8H3BaNO6 MolecularWeight: 346.43952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5NO6.Ba/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13;/h1-3H,(H,10,11)(H,12,13);/q;+2/p-2