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Reference substances

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IUPAC name:
hydronium;iron(3+);hexahydroxide;disulfate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
(H3O)Fe3(SO4)2(OH)6
Isotope formula: Fe3H9O15S2
Molecular weight:
ca. 480.7
SMILES notation:
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Fe+3].[Fe+3].[Fe+3].[H][O]([H])[H+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
InChl:
InChI=1S/3Fe.2H2O4S.7H2O/c;;;2*1-5(2,3)4;;;;;;;/h;;;2*(H2,1,2,3,4);7*1H2/q3*+3;;;;;;;;;/p-9
AuxInfo=1/1/N:18;19;20;7,9,10,11,8;12,14,15,16,13;21;1;2;3;4;5;6/E:;;;2*(1,2,3,4);;;;;;;/CRV:;;;2*5.6;;;;;;;/rA:23O-O-O-O-O-O-O-SOOO-O-SOOO-H+Fe+3Fe+3Fe+3O3HH/rB:;;;;;;s7;d8;d8;s8;;s12;d13;d13;s13;;;;;s17;s21;s21;/rC:;2.09,0,0;4.18,0,0;0,-3.08,0;2.09,-3.08,0;4.18,-3.08,0;1.65,-7.7,0;.11,-7.7,0;.11,-6.16,0;.11,-9.24,0;-1.43,-7.7,0;11.66,-7.8905,0;10.12,-7.8905,0;10.12,-6.3505,0;10.12,-9.4305,0;8.58,-7.8905,0;2.42,-9.0337,0;-2.97,-7.7,0;13.2,-7.8905,0;7.04,-7.8905,0;2.42,-10.5737,0;1.0863,-11.3437,0;3.7116,-11.4124,0;
Structural formula:
Chemical structure

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