cobalt(2+); 1-octadecyl-2-[6-(1-octadecylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; trichloride

Systemtic Name: cobalt(2+); 1-octadecyl-2-[6-(1-octadecylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; trichloride Openeye Name: cobaltous 1-octadecyl-2-[6-(1-octadecylbenzimidazol-2-yl)-2-pyridyl]benzimidazole trichloride CAS Name: cobalt(2+); 1-octadecyl-2-[6-(1-octadecyl-2-benzimidazolyl)-2-pyridinyl]benzimidazole; trichloride IUPAC Name: cobalt(2+); 1-octadecyl-2-[6-(1-octadecylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; trichloride Traditional Name: cobaltous 1-stearyl-2-[6-(1-stearylbenzimidazol-2-yl)-2-pyridyl]benzimidazole trichloride Formula: C55H85Cl3CoN5- MolecularWeight: 981.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4CCCCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Co+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4CCCCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Co+2]

InChI

InChI=1S/C55H85N5.3ClH.Co/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-59-52-44-35-33-40-48(52)57-54(59)50-42-39-43-51(56-50)55-58-49-41-34-36-45-53(49)60(55)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;3*1H;/q;;;;+2/p-3