1H-imidazole; 4H-imidazole; nickel(2+); phthalate

Systemtic Name: 1H-imidazole; 4H-imidazole; nickel(2+); phthalate Openeye Name: nickelous; imidazole; 4H-imidazole; phthalate CAS Name: 1H-imidazole; 4H-imidazole; nickel(2+); phthalate IUPAC Name: 1H-imidazole; 4H-imidazole; nickel(2+); phthalate Traditional Name: nickelous; glyoxaline; 4H-imidazole; phthalate Formula: C29H32N14NiO4 MolecularWeight: 699.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CN=CN1.[Ni+2]

Isomeric SMILES

C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1C=NC=N1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CN=CN1.[Ni+2]

InChI

InChI=1S/C8H6O4.7C3H4N2.Ni/c9-7(10)5-3-1-2-4-6(5)8(11)12;7*1-2-5-3-4-1;/h1-4H,(H,9,10)(H,11,12);6*1,3H,2H2;1-3H,(H,4,5);/q;;;;;;;;+2/p-2