4,5-bis(azanyl)-4,5-bis(3-oxidanidyl-3-oxidanylidene-propyl)octanedioate; manganese(3+); tetraphenylphosphanium

Systemtic Name: 4,5-bis(azanyl)-4,5-bis(3-oxidanidyl-3-oxidanylidene-propyl)octanedioate; manganese(3+); tetraphenylphosphanium Openeye Name: manganic; 4,5-diamino-4,5-bis(3-oxido-3-oxo-propyl)octanedioate; tetraphenylphosphonium CAS Name: 4,5-diamino-4,5-bis(3-oxido-3-oxopropyl)octanedioate; manganese(3+); tetraphenylphosphonium IUPAC Name: 4,5-diamino-4,5-bis(3-oxido-3-oxopropyl)octanedioate; manganese(3+); tetraphenylphosphanium Traditional Name: manganic; 4,5-diamino-4,5-bis(3-keto-3-oxido-propyl)suberate; tetraphenylphosphonium Formula: C38H40MnN2O8P MolecularWeight: 738.64461

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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.C(CC(CCC(=O)[O-])(C(CCC(=O)[O-])(CCC(=O)[O-])N)N)C(=O)[O-].[Mn+3]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(CC(CCC(=O)[O-])(C(CCC(=O)[O-])(CCC(=O)[O-])N)N)C(=O)[O-].[Mn+3]

InChI

InChI=1S/C24H20P.C14H24N2O8.Mn/c1-5-13-21(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;15-13(5-1-9(17)18,6-2-10(19)20)14(16,7-3-11(21)22)8-4-12(23)24;/h1-20H;1-8,15-16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);/q+1;;+3/p-4