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Ferrate(2-), hexacarbonyl[μ-[2,3-di(mercapto-κS:κS)-1,4-benzenedicarboxylato(4-)]]di-, (Fe-Fe)

Catalog Number ACM1480940439
CAS 1480940-43-9
Synonyms Carbon monoxide;2,3-disulfidoterephthalate;iron
Molecular Weight 506
Molecular Formula C14H2Fe2O10S2
Canonical SMILES [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=C(C(=C1C(=O)[O-])[S-])[S-])C(=O)[O-].[Fe].[Fe]
InChI InChI=1S/C8H6O4S2.6CO.2Fe/c9-7(10)3-1-2-4(8(11)12)6(14)5(3)13;6*1-2;/h1-2,13-14H,(H,9,10)(H,11,12);/p-4
InChI Key KFFNHZKIVBDDDO-UHFFFAOYSA-J
Purity 97%
Complexity 453
Covalently-Bonded Unit Count 9
Defined Atom Stereocenter Count 0
Exact Mass 505.77881
Heavy Atom Count 28
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 0
Monoisotopic Mass 505.77881
Rotatable Bond Count 0
Topological Polar Surface Area 88.3 Ų

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