iron(2+); 5-nitro-1,10-phenanthroline; sulfate

Systemtic Name: iron(2+); 5-nitro-1,10-phenanthroline; sulfate Openeye Name: ferrous 5-nitro-1,10-phenanthroline sulfate CAS Name: iron(2+); 5-nitro-1,10-phenanthroline; sulfate IUPAC Name: iron(2+); 5-nitro-1,10-phenanthroline; sulfate Traditional Name: ferrous 5-nitro-1,10-phenanthroline sulfate Formula: C36H21FeN9O10S MolecularWeight: 827.51624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/3C12H7N3O2.Fe.H2O4S/c3*16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;;1-5(2,3)4/h3*1-7H;;(H2,1,2,3,4)/q;;;+2;/p-2