barium(2+); 2-methyl-4,6-dinitro-phenolate

Systemtic Name: barium(2+); 2-methyl-4,6-dinitro-phenolate Openeye Name: barium(2+); 2-methyl-4,6-dinitro-phenolate CAS Name: barium(2+); 2-methyl-4,6-dinitrophenolate IUPAC Name: barium(2+); 2-methyl-4,6-dinitrophenolate Traditional Name: barium(2+); 2-methyl-4,6-dinitro-phenolate Formula: C14H10BaN4O10 MolecularWeight: 531.577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[Ba+2]

Isomeric SMILES

CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[Ba+2]

InChI

InChI=1S/2C7H6N2O5.Ba/c2*1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2*2-3,10H,1H3;/q;;+2/p-2