dicopper 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol dichloride

Systemtic Name: dicopper 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol dichloride Openeye Name: dicopper 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol dichloride CAS Name: dicopper 2-(2-methyl-5-nitro-1-imidazolyl)ethanol dichloride IUPAC Name: dicopper 2-(2-methyl-5-nitroimidazol-1-yl)ethanol dichloride Traditional Name: dicupric 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol dichloride Formula: C24H36Cl2Cu2N12O12+2 MolecularWeight: 882.61384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].CC1=NC=C(N1CCO)[N+](=O)[O-].CC1=NC=C(N1CCO)[N+](=O)[O-].CC1=NC=C(N1CCO)[N+](=O)[O-].[Cl-].[Cl-].[Cu+2].[Cu+2]

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].CC1=NC=C(N1CCO)[N+](=O)[O-].CC1=NC=C(N1CCO)[N+](=O)[O-].CC1=NC=C(N1CCO)[N+](=O)[O-].[Cl-].[Cl-].[Cu+2].[Cu+2]

InChI

InChI=1S/4C6H9N3O3.2ClH.2Cu/c4*1-5-7-4-6(9(11)12)8(5)2-3-10;;;;/h4*4,10H,2-3H2,1H3;2*1H;;/q;;;;;;2*+2/p-2