2-azanyl-4,6-dinitro-phenolate; zirconium(4+)

Systemtic Name: 2-azanyl-4,6-dinitro-phenolate; zirconium(4+) Openeye Name: 2-amino-4,6-dinitro-phenolate; zirconium(4+) CAS Name: 2-amino-4,6-dinitrophenolate; zirconium(4+) IUPAC Name: 2-amino-4,6-dinitrophenolate; zirconium(4+) Traditional Name: 2-amino-4,6-dinitro-phenolate; zirconium(4+) Formula: C24H16N12O20Zr MolecularWeight: 883.67624

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[Zr+4]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[Zr+4]

InChI

InChI=1S/4C6H5N3O5.Zr/c4*7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h4*1-2,10H,7H2;/q;;;;+4/p-4