barium(2+); copper; hydride; methanediolate; methanoic acid; oxidanylmethanolate; hexahydroxide

Systemtic Name: barium(2+); copper; hydride; methanediolate; methanoic acid; oxidanylmethanolate; hexahydroxide Openeye Name: barium(2+); copper; formic acid; hydride; hydroxymethanolate; methanediolate; hexahydroxide CAS Name: barium(2+); copper; formic acid; hydride; hydroxymethanolate; methanediolate; hexahydroxide IUPAC Name: barium(2+); copper; formic acid; hydride; hydroxymethanolate; methanediolate; hexahydroxide Traditional Name: barium(2+); copper; formic acid; hydride; hydroxymethanolate; methanediolate; hexahydroxide Formula: C6H22Ba4CuO18-6 MolecularWeight: 995.08208

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Descriptors Computed from Structure

Canonical SMILES:

[H-].[H-].C(O)[O-].C(O)[O-].C([O-])[O-].C([O-])[O-].C(=O)O.C(=O)O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Cu].[Ba+2].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

[H-].[H-].C(O)[O-].C(O)[O-].C([O-])[O-].C([O-])[O-].C(=O)O.C(=O)O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Cu].[Ba+2].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/2CH3O2.4CH2O2.4Ba.Cu.6H2O.2H/c6*2-1-3;;;;;;;;;;;;;/h2*2H,1H2;2*1H2;2*1H,(H,2,3);;;;;;6*1H2;;/q2*-1;2*-2;;;4*+2;;;;;;;;2*-1/p-6