benzene-1,2,3,4-tetracarboxylate; 4H-imidazole; nickel(2+)

Systemtic Name: benzene-1,2,3,4-tetracarboxylate; 4H-imidazole; nickel(2+) Openeye Name: dinickelous; benzene-1,2,3,4-tetracarboxylate; 4H-imidazole CAS Name: benzene-1,2,3,4-tetracarboxylate; 4H-imidazole; nickel(2+) IUPAC Name: benzene-1,2,3,4-tetracarboxylate; 4H-imidazole; nickel(2+) Traditional Name: dinickelous; benzene-1,2,3,4-tetracarboxylate; 4H-imidazole Formula: C46H50N24Ni2O8 MolecularWeight: 1184.432

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6O8.12C3H4N2.2Ni/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;12*1-2-5-3-4-1;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);12*1,3H,2H2;;/q;;;;;;;;;;;;;2*+2/p-4