butanedioic acid; manganese; 2-pyridin-2-ylpyridine; diperchlorate; tetrahydrate

Systemtic Name: butanedioic acid; manganese; 2-pyridin-2-ylpyridine; diperchlorate; tetrahydrate Openeye Name: manganese; 2-(2-pyridyl)pyridine; succinic acid; diperchlorate; tetrahydrate CAS Name: butanedioic acid; manganese; 2-(2-pyridinyl)pyridine; diperchlorate; tetrahydrate IUPAC Name: butanedioic acid; manganese; 2-pyridin-2-ylpyridine; diperchlorate; tetrahydrate Traditional Name: manganese; 2-(2-pyridyl)pyridine; succinic acid; diperchlorate; tetrahydrate Formula: C44H46Cl2Mn2N8O16-2 MolecularWeight: 1123.662138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(CC(=O)O)C(=O)O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Mn].[Mn]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(CC(=O)O)C(=O)O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Mn].[Mn]

InChI

InChI=1S/4C10H8N2.C4H6O4.2ClHO4.2Mn.4H2O/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-3(6)1-2-4(7)8;2*2-1(3,4)5;;;;;;/h4*1-8H;1-2H2,(H,5,6)(H,7,8);2*(H,2,3,4,5);;;4*1H2/p-2