Marvin  10200914122D          

 17 12  0  0  0  0            999 V2000
   -2.7795    0.1080    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   -0.6850    0.1080    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   -3.9482    2.0085    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3649    2.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5316    1.4251    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5316    2.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3649    1.4251    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8071    2.0232    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238    2.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905    1.4399    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3905    2.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238    1.4399    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4518    2.0429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    2.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316    1.4595    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1316    2.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    1.4595    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  CHG  8   1   3   2   3   5  -1   7  -1  10  -1  12  -1  15  -1  17  -1
M  END
> <ID>
CHEBI:53438

> <NAME>
iron(3+) sulfate

> <DEFINITION>
A compound of iron and sulfate in which the ratio of iron(3+) to sulfate ions is 3:2.

> <STAR>
3

> <SYNONYM>
Iron(III) sulfate; iron(III) sulfate(VI); Iron tersulfate; Iron sesquisulfate; Iron persulfate; Ferric tersulfate; Ferric sulfate; Ferric sesquisulfate; Ferric persulfate; Diiron trisulfate; Diiron tris(sulphate)

> <IUPAC_NAME>
iron(3+) sulfate; iron(III) sulfate

> <FORMULA>
Fe2O12S3

> <MASS>
399.87800

> <MONOISOTOPIC_MASS>
399.72506

> <CHARGE>
0

> <SMILES>
[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI>
InChI=1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6

> <INCHIKEY>
RUTXIHLAWFEWGM-UHFFFAOYSA-H

> <CAS_REGISTRY_NUMBER>
10028-22-5

> <GMELIN_REGISTRY_NUMBER>
20284

> <REAXYS_REGISTRY_NUMBER>
11343142

> <CHEMIDPLUS>
10028-22-5

> <WIKIPEDIA_ACCESSION>
Iron(III)_sulfate

> <PUBMED_CITATION>
7615984

$$$$