oxidanium; 2-azaniumylethanoate; 1,10-phenanthroline-1,10-diide; ytterbium(3+)

Systemtic Name: oxidanium; 2-azaniumylethanoate; 1,10-phenanthroline-1,10-diide; ytterbium(3+) Openeye Name: oxonium; 2-azaniumylacetate; 1,10-phenanthroline-1,10-diide; ytterbium(3+) CAS Name: oxonium; 2-ammonioacetate; 1,10-phenanthroline-1,10-diide; ytterbium(3+) IUPAC Name: oxidanium; 2-azaniumylacetate; 1,10-phenanthroline-1,10-diide; ytterbium(3+) Traditional Name: oxonium; 2-ammonioacetate; 1,10-phenanthroline-1,10-diide; ytterbium(3+) Formula: C20H31N6O9Yb+2 MolecularWeight: 672.53494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2.4C2H5NO2.H2O.Yb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*3-1-2(4)5;;/h1-8H;4*1,3H2,(H,4,5);1H2;/q-2;;;;;;+3/p+1