1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol; nickel(2+)

Systemtic Name: 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol; nickel(2+) Openeye Name: nickelous 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol CAS Name: 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol; nickel(2+) IUPAC Name: 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol; nickel(2+) Traditional Name: nickelous 1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol Formula: C32H28N8NiO4+2 MolecularWeight: 647.30932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C(C3=NC4=CC=CC=C4N3)O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C3=NC4=CC=CC=C4N3)O)O.[Ni+2]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(C(C3=NC4=CC=CC=C4N3)O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C3=NC4=CC=CC=C4N3)O)O.[Ni+2]

InChI

InChI=1S/2C16H14N4O2.Ni/c2*21-13(15-17-9-5-1-2-6-10(9)18-15)14(22)16-19-11-7-3-4-8-12(11)20-16;/h2*1-8,13-14,21-22H,(H,17,18)(H,19,20);/q;;+2