iron(3+); 2,4,6-trinitrophenolate

Systemtic Name: iron(3+); 2,4,6-trinitrophenolate Openeye Name: ferric 2,4,6-trinitrophenolate CAS Name: iron(3+); 2,4,6-trinitrophenolate IUPAC Name: iron(3+); 2,4,6-trinitrophenolate Traditional Name: ferric tripicrate Formula: C18H6FeN9O21 MolecularWeight: 740.13294

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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-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Fe+3]

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-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Fe+3]

InChI

InChI=1S/3C6H3N3O7.Fe/c3*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h3*1-2,10H;/q;;;+3/p-3