copper; 1-butyl-2-pentyl-benzimidazole; tris(fluoranyl)methanesulfonate

Systemtic Name: copper; 1-butyl-2-pentyl-benzimidazole; tris(fluoranyl)methanesulfonate Openeye Name: copper; 1-butyl-2-pentyl-benzimidazole; trifluoromethanesulfonate CAS Name: copper; 1-butyl-2-pentylbenzimidazole; trifluoromethanesulfonate IUPAC Name: copper; 1-butyl-2-pentylbenzimidazole; trifluoromethanesulfonate Traditional Name: cupric 2-amyl-1-butyl-benzimidazole ditriflate Formula: C18H24CuF6N2O6S2 MolecularWeight: 606.059379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=CC=CC=C2N1CCCC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

CCCCCC1=NC2=CC=CC=C2N1CCCC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/C16H24N2.2CHF3O3S.Cu/c1-3-5-7-12-16-17-14-10-8-9-11-15(14)18(16)13-6-4-2;2*2-1(3,4)8(5,6)7;/h8-11H,3-7,12-13H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2