Ketcher 03011615262D 1   1.00000     0.00000     0

 18 12  0     0  0            999 V2000
    9.1144   -4.5458    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   11.6532   -4.5458    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    7.6978   -2.2422    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4048   -1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906   -2.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906   -1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4048   -2.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2931   -2.2243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0002   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859   -2.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0002   -2.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0312   -2.2005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7383   -1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241   -2.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241   -1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7383   -2.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8674   -5.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0     0  0
  3  5  1  0     0  0
  3  6  2  0     0  0
  3  7  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
  8 11  2  0     0  0
  8 12  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
 13 16  2  0     0  0
 13 17  1  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:131387

> <NAME>
iron(3+) sulfate hydrate

> <DEFINITION>
A hydrate that is the monohydrate form of iron(3+) sulfate.

> <STAR>
3

> <SYNONYM>
iron(3+) sulfate monohydrate; iron(III) sulfate monohydrate; iron(III) sulfate hydrate; Ferric trisulfate monohydrate; ferric sulfate monohydrate; ferric sulfate hydrate

> <IUPAC_NAME>
iron(3+) sulfate--water (1/1)

> <FORMULA>
Fe2H2O13S3

> <MASS>
417.897

> <MONOISOTOPIC_MASS>
417.73563

> <CHARGE>
0

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

> <INCHI>
InChI=1S/2Fe.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6

> <INCHIKEY>
VXWSFRMTBJZULV-UHFFFAOYSA-H

> <CAS_REGISTRY_NUMBER>
43059-01-4

> <CHEMIDPLUS>
43059-01-4

> <WIKIPEDIA_ACCESSION>
Iron(III)_sulfate

$$$$