thorium(2+); 2,4,6-trinitrophenolate

Systemtic Name: thorium(2+); 2,4,6-trinitrophenolate Openeye Name: thorium(2+); 2,4,6-trinitrophenolate CAS Name: thorium(2+); 2,4,6-trinitrophenolate IUPAC Name: thorium(2+); 2,4,6-trinitrophenolate Traditional Name: thorium(2+) dipicrate Formula: C12H4N6O14Th MolecularWeight: 688.23006

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Descriptors Computed from Structure

Canonical SMILES:

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-].[Th+2]

Isomeric SMILES

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-].[Th+2]

InChI

InChI=1S/2C6H3N3O7.Th/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2