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Bathophenanthroline, Sulfonated, Ferrous Sulfate
[CAS# 68516-46-1]

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Identification
Name Bathophenanthroline, Sulfonated, Ferrous Sulfate
Synonyms Ferrous Hexasodium 4-[7-(4-Sulfonatophenyl)-1,10-Phenanthrolin-4-Yl]Benzenesulfonate Sulfate; Ferrate(4-), Tris((4,4'-(1,10-Phenanthroline-4,7-Diyl-Kappan1,Kappan10)Bis(Benzenesulfonato))(2-))-, (Oc-6-11)-, Sodium Sulfate (1:6:1); Ferrous, Tris(4,7-Di(4-Phenylsulfonic Acid)-1,10-Phenanthroline)-, Sulfate Hexasodium Salt
Molecular Formula C72H42FeN6Na6O22S7
Molecular Weight 1761.36
CAS Registry Number 68516-46-1
SMILES [Na+].C23=C1N=CC=C(C1=CC=C2C(=CC=N3)C4=CC=C([S]([O-])(=O)=O)C=C4)C5=CC=C([S]([O-])(=O)=O)C=C5.C7=C9C(=C6N=CC=C(C6=C7)C8=CC=C([S]([O-])(=O)=O)C=C8)N=CC=C9C%10=CC=C([S]([O-])(=O)=O)C=C%10.C%12=C%14C(=C%11N=CC=C(C%11=C%12)C%13=CC=C([S]([O-])(=O)=O)C=C%13)N=CC=C%14C%15=CC=C([S]([O-])(=O)=O)C=C%15.[O-][S]([O-])(=O)=O.[Na+].[Fe++].[Na+].[Na+].[Na+].[Na+]
InChI 1S/3C24H16N2O6S2.Fe.6Na.H2O4S/c3*27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;;;;;;;1-5(2,3)4/h3*1-14H,(H,27,28,29)(H,30,31,32);;;;;;;;(H2,1,2,3,4)/q;;;+2;6*+1;/p-8
InChIKey FWDJJBCGMQPACN-UHFFFAOYSA-F
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