barium(2+); 4-nitrophenolate

Systemtic Name: barium(2+); 4-nitrophenolate Openeye Name: barium(2+); 4-nitrophenolate CAS Name: barium(2+); 4-nitrophenolate IUPAC Name: barium(2+); 4-nitrophenolate Traditional Name: barium(2+); 4-nitrophenolate Formula: C12H8BaN2O6 MolecularWeight: 413.52872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H5NO3.Ba/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4,8H;/q;;+2/p-2