cerium(3+); 2-oxidanylpropane-1,2,3-tricarboxylate; trinitrate

Systemtic Name: cerium(3+); 2-oxidanylpropane-1,2,3-tricarboxylate; trinitrate Openeye Name: cerium(3+) tricitrate trinitrate CAS Name: cerium(3+); 2-hydroxypropane-1,2,3-tricarboxylate; trinitrate IUPAC Name: cerium(3+); 2-hydroxypropane-1,2,3-tricarboxylate; trinitrate Traditional Name: cerium(3+) tricitrate trinitrate Formula: C18H15Ce4N3O30 MolecularWeight: 1313.7778

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ce+3].[Ce+3].[Ce+3].[Ce+3]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ce+3].[Ce+3].[Ce+3].[Ce+3]

InChI

InChI=1S/3C6H8O7.4Ce.3NO3/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;3*2-1(3)4/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;/q;;;4*+3;3*-1/p-9