Chemical Compound

Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate

Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate chemical structure
Primary Record

Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
168309518
SMILES
CO.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C(COCCOCCOCCO)O.C(COCCOCCOCCO)O.[OH3+].[OH3+].[Gd+3].[Gd+3]
Canonical SMILES
CO.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.OCCOCCOCCOCCO.OCCOCCOCCOCCO.[Gd+3].[Gd+3].[OH3+].[OH3+]

Names & Synonyms

  • Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate
  • aquabis(2,4,6-trinitrophenolato)(3,6,9-trioxaundecane-1,11- diol)gadolinium(III) 2,4,6-trinitrophenolate methanol hemisolvate