5-(1H-imidazol-2-yl)-6-(oxidanylidenemethylidene)cyclohexa-1,3-diene-1-carboxylate; manganese(2+)

Systemtic Name: 5-(1H-imidazol-2-yl)-6-(oxidanylidenemethylidene)cyclohexa-1,3-diene-1-carboxylate; manganese(2+) Openeye Name: manganous 5-(1H-imidazol-2-yl)-6-(oxomethylene)cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-(1H-imidazol-2-yl)-6-(oxomethylidene)-1-cyclohexa-1,3-dienecarboxylate; manganese(2+) IUPAC Name: 5-(1H-imidazol-2-yl)-6-(oxomethylidene)cyclohexa-1,3-diene-1-carboxylate; manganese(2+) Traditional Name: manganous 5-(1H-imidazol-2-yl)-6-(ketomethylene)cyclohexa-1,3-diene-1-carboxylate Formula: C22H14MnN4O6 MolecularWeight: 485.307809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=C=O)C(=C1)C(=O)[O-])C2=NC=CN2.C1=CC(C(=C=O)C(=C1)C(=O)[O-])C2=NC=CN2.[Mn+2]

Isomeric SMILES

C1=CC(C(=C=O)C(=C1)C(=O)[O-])C2=NC=CN2.C1=CC(C(=C=O)C(=C1)C(=O)[O-])C2=NC=CN2.[Mn+2]

InChI

InChI=1S/2C11H8N2O3.Mn/c2*14-6-9-7(10-12-4-5-13-10)2-1-3-8(9)11(15)16;/h2*1-5,7H,(H,12,13)(H,15,16);/q;;+2/p-2