magnesium; 2,4-dinitrophenolate; pyridin-1-ium

Systemtic Name: magnesium; 2,4-dinitrophenolate; pyridin-1-ium Openeye Name: magnesium; 2,4-dinitrophenolate; pyridin-1-ium CAS Name: magnesium; 2,4-dinitrophenolate; pyridin-1-ium IUPAC Name: magnesium; 2,4-dinitrophenolate; pyridin-1-ium Traditional Name: magnesium; 2,4-dinitrophenolate; pyridin-1-ium Formula: C22H18MgN6O10+2 MolecularWeight: 550.71752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H4N2O5.2C5H5N.Mg/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13;2*1-2-4-6-5-3-1;/h2*1-3,9H;2*1-5H;/q;;;;+2