1H-benzimidazole; 4,4-bis(oxidanyl)butanoic acid; manganese; hydrate

Systemtic Name: 1H-benzimidazole; 4,4-bis(oxidanyl)butanoic acid; manganese; hydrate Openeye Name: benzimidazole; 4,4-dihydroxybutanoic acid; manganese; hydrate CAS Name: 1H-benzimidazole; 4,4-dihydroxybutanoic acid; manganese; hydrate IUPAC Name: 1H-benzimidazole; 4,4-dihydroxybutanoic acid; manganese; hydrate Traditional Name: benzimidazole; 4,4-dihydroxybutyric acid; manganese; hydrate Formula: C25H28Mn2N6O5 MolecularWeight: 602.403118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC=N2.C(CC(=O)O)C(O)O.O.[Mn].[Mn]

Isomeric SMILES

C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC=N2.C(CC(=O)O)C(O)O.O.[Mn].[Mn]

InChI

InChI=1S/3C7H6N2.C4H8O4.2Mn.H2O/c3*1-2-4-7-6(3-1)8-5-9-7;5-3(6)1-2-4(7)8;;;/h3*1-5H,(H,8,9);3,5-6H,1-2H2,(H,7,8);;;1H2