tetraaluminum; 2-azanidylethanoate; 2-azanylethanoate; zirconium(2+); hydrochloride

Systemtic Name: tetraaluminum; 2-azanidylethanoate; 2-azanylethanoate; zirconium(2+); hydrochloride Openeye Name: tetraaluminum; 2-aminoacetate; 2-azanidylacetate; zirconium(2+); hydrochloride CAS Name: tetraaluminum; 2-aminoacetate; 2-azanidylacetate; zirconium(2+); hydrochloride IUPAC Name: tetraaluminum; 2-aminoacetate; 2-azanidylacetate; zirconium(2+); hydrochloride Traditional Name: tetraaluminum; 2-amidylacetate; 2-aminoacetate; zirconium(2+); hydrochloride Formula: C18H34Al4ClN9O18Zr3+6 MolecularWeight: 1081.563212

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])[NH-].C(C(=O)[O-])[NH-].C(C(=O)[O-])[NH-].[Al+3].[Al+3].[Al+3].[Al+3].Cl.[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])[NH-].C(C(=O)[O-])[NH-].C(C(=O)[O-])[NH-].[Al+3].[Al+3].[Al+3].[Al+3].Cl.[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/6C2H5NO2.3C2H4NO2.4Al.ClH.3Zr/c9*3-1-2(4)5;;;;;;;;/h6*1,3H2,(H,4,5);3*3H,1H2,(H,4,5);;;;;1H;;;/q;;;;;;3*-1;4*+3;;3*+2/p-9