carboxycarbonyl-[2-(carboxycarbonylazanidyl)phenyl]azanide; oxidanylidenemanganese; tetraphenylphosphanium; tetrahydrate

Systemtic Name: carboxycarbonyl-[2-(carboxycarbonylazanidyl)phenyl]azanide; oxidanylidenemanganese; tetraphenylphosphanium; tetrahydrate Openeye Name: oxalo-(2-oxaloazanidylphenyl)azanide; oxomanganese; tetraphenylphosphonium; tetrahydrate CAS Name: oxalo-(2-oxaloazanidylphenyl)azanide; oxomanganese; tetraphenylphosphonium; tetrahydrate IUPAC Name: oxalo-(2-oxaloazanidylphenyl)azanide; oxomanganese; tetraphenylphosphanium; tetrahydrate Traditional Name: ketomanganese; oxalo-(2-oxaloazanidylphenyl)azanide; tetraphenylphosphonium; tetrahydrate Formula: C116H100Mn2N4O18P4 MolecularWeight: 2071.822342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C(=C1)[N-]C(=O)C(=O)O)[N-]C(=O)C(=O)O.C1=CC=C(C(=C1)[N-]C(=O)C(=O)O)[N-]C(=O)C(=O)O.O.O.O.O.O=[Mn].O=[Mn]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C(=C1)[N-]C(=O)C(=O)O)[N-]C(=O)C(=O)O.C1=CC=C(C(=C1)[N-]C(=O)C(=O)O)[N-]C(=O)C(=O)O.O.O.O.O.O=[Mn].O=[Mn]

InChI

InChI=1S/4C24H20P.2C10H8N2O6.2Mn.4H2O.2O/c4*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*13-7(9(15)16)11-5-3-1-2-4-6(5)12-8(14)10(17)18;;;;;;;;/h4*1-20H;2*1-4H,(H4,11,12,13,14,15,16,17,18);;;4*1H2;;/q4*+1;;;;;;;;;;/p-4