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

Systemtic Name: iron(2+); 5-methyl-1,10-phenanthroline; sulfate Openeye Name: ferrous 5-methyl-1,10-phenanthroline sulfate CAS Name: iron(2+); 5-methyl-1,10-phenanthroline; sulfate IUPAC Name: iron(2+); 5-methyl-1,10-phenanthroline; sulfate Traditional Name: ferrous 5-methyl-1,10-phenanthroline sulfate Formula: C39H30FeN6O4S MolecularWeight: 734.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.[O-]S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.CC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/3C13H10N2.Fe.H2O4S/c3*1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;;1-5(2,3)4/h3*2-8H,1H3;;(H2,1,2,3,4)/q;;;+2;/p-2