butanedioic acid; manganese; 1,10-phenanthroline; tetrahydrate

Systemtic Name: butanedioic acid; manganese; 1,10-phenanthroline; tetrahydrate Openeye Name: manganese; 1,10-phenanthroline; succinic acid; tetrahydrate CAS Name: butanedioic acid; manganese; 1,10-phenanthroline; tetrahydrate IUPAC Name: butanedioic acid; manganese; 1,10-phenanthroline; tetrahydrate Traditional Name: manganese; 1,10-phenanthroline; succinic acid; tetrahydrate Formula: C32H36Mn2N4O12 MolecularWeight: 778.523938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O.O.O.O.O.[Mn].[Mn]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O.O.O.O.O.[Mn].[Mn]

InChI

InChI=1S/2C12H8N2.2C4H6O4.2Mn.4H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*5-3(6)1-2-4(7)8;;;;;;/h2*1-8H;2*1-2H2,(H,5,6)(H,7,8);;;4*1H2