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

Systemtic Name: iron(2+); 1,10-phenanthroline; sulfate Openeye Name: ferrous 1,10-phenanthroline sulfate CAS Name: iron(2+); 1,10-phenanthroline; sulfate IUPAC Name: iron(2+); 1,10-phenanthroline; sulfate Traditional Name: ferrous 1,10-phenanthroline sulfate Formula: C36H24FeN6O4S MolecularWeight: 692.52356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/3C12H8N2.Fe.H2O4S/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-5(2,3)4/h3*1-8H;;(H2,1,2,3,4)/q;;;+2;/p-2