1-butyl-2-[6-(1-butylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; cobalt(2+); trichloride

Systemtic Name: 1-butyl-2-[6-(1-butylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; cobalt(2+); trichloride Openeye Name: cobaltous 1-butyl-2-[6-(1-butylbenzimidazol-2-yl)-2-pyridyl]benzimidazole trichloride CAS Name: 1-butyl-2-[6-(1-butyl-2-benzimidazolyl)-2-pyridinyl]benzimidazole; cobalt(2+); trichloride IUPAC Name: 1-butyl-2-[6-(1-butylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; cobalt(2+); trichloride Traditional Name: cobaltous 1-butyl-2-[6-(1-butylbenzimidazol-2-yl)-2-pyridyl]benzimidazole trichloride Formula: C27H29Cl3CoN5- MolecularWeight: 588.84486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4CCCC.[Cl-].[Cl-].[Cl-].[Co+2]

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4CCCC.[Cl-].[Cl-].[Cl-].[Co+2]

InChI

InChI=1S/C27H29N5.3ClH.Co/c1-3-5-18-31-24-16-9-7-12-20(24)29-26(31)22-14-11-15-23(28-22)27-30-21-13-8-10-17-25(21)32(27)19-6-4-2;;;;/h7-17H,3-6,18-19H2,1-2H3;3*1H;/q;;;;+2/p-3