2,3-bis(oxidanyl)butanedioic acid; cobalt(3+); 4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; cobalt(3+); 4,7-diphenyl-1,10-phenanthroline Openeye Name: cobaltic; 2,3-dihydroxybutanedioic acid; 4,7-diphenyl-1,10-phenanthroline CAS Name: cobalt(3+); 2,3-dihydroxybutanedioic acid; 4,7-diphenyl-1,10-phenanthroline IUPAC Name: cobalt(3+); 2,3-dihydroxybutanedioic acid; 4,7-diphenyl-1,10-phenanthroline Traditional Name: cobaltic; 4,7-diphenyl-1,10-phenanthroline; tartaric acid Formula: C76H54CoN6O6+3 MolecularWeight: 1206.21176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C(C(C(=O)O)O)(C(=O)O)O.[Co+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C(C(C(=O)O)O)(C(=O)O)O.[Co+3]

InChI

InChI=1S/3C24H16N2.C4H6O6.Co/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;5-1(3(7)8)2(6)4(9)10;/h3*1-16H;1-2,5-6H,(H,7,8)(H,9,10);/q;;;;+3