dioxidanium; 2-azaniumylethanoate; neodymium(3+); 1,10-phenanthroline-1,10-diide

Systemtic Name: dioxidanium; 2-azaniumylethanoate; neodymium(3+); 1,10-phenanthroline-1,10-diide Openeye Name: dioxonium; 2-azaniumylacetate; neodymium(3+); 1,10-phenanthroline-1,10-diide CAS Name: dioxonium; 2-ammonioacetate; neodymium(3+); 1,10-phenanthroline-1,10-diide IUPAC Name: dioxidanium; 2-azaniumylacetate; neodymium(3+); 1,10-phenanthroline-1,10-diide Traditional Name: dioxonium; 2-ammonioacetate; neodymium(3+); 1,10-phenanthroline-1,10-diide Formula: C28H32N6NdO6+ MolecularWeight: 692.83028

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C(C(=O)[O-])[NH3+].C(C(=O)[O-])[NH3+].[OH3+].[OH3+].[Nd+3]

Isomeric SMILES

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C(C(=O)[O-])[NH3+].C(C(=O)[O-])[NH3+].[OH3+].[OH3+].[Nd+3]

InChI

InChI=1S/2C12H8N2.2C2H5NO2.Nd.2H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-2(4)5;;;/h2*1-8H;2*1,3H2,(H,4,5);;2*1H2/q2*-2;;;+3;;/p+2