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

Systemtic Name: barium(2+); 2-methyl-4,6-dinitro-phenol Openeye Name: barium(2+); 2-methyl-4,6-dinitro-phenol CAS Name: barium(2+); 2-methyl-4,6-dinitrophenol IUPAC Name: barium(2+); 2-methyl-4,6-dinitrophenol Traditional Name: barium(2+); 2-methyl-4,6-dinitro-phenol Formula: C7H6BaN2O5+2 MolecularWeight: 335.45994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].[Ba+2]

Isomeric SMILES

CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].[Ba+2]

InChI

InChI=1S/C7H6N2O5.Ba/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;/q;+2