tetraoxidanium; erbium; 1,10-phenanthroline-1,10-diide; dihydrate

Systemtic Name: tetraoxidanium; erbium; 1,10-phenanthroline-1,10-diide; dihydrate Openeye Name: tetraoxonium; erbium; 1,10-phenanthroline-1,10-diide; dihydrate CAS Name: tetraoxonium; erbium; 1,10-phenanthroline-1,10-diide; dihydrate IUPAC Name: tetraoxidanium; erbium; 1,10-phenanthroline-1,10-diide; dihydrate Traditional Name: tetraoxonium; erbium; 1,10-phenanthroline-1,10-diide; dihydrate Formula: C48H48Er2N8O6-4 MolecularWeight: 1167.46272

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

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

InChI

InChI=1S/4C12H8N2.2Er.6H2O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;/h4*1-8H;;;6*1H2/q4*-2;;;;;;;;/p+4