Ketcher 07141510582D 1   1.00000     0.00000     0

 12  8  0     0  0            999 V2000
   10.1577   -4.2283    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577   -7.5066    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    9.0103   -5.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0103   -5.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   -4.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   -5.8674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   -6.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3217   -5.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3217   -5.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3217   -4.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3217   -5.8027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3217   -6.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  6  7  2  0     0  0
 11  8  1  0     0  0
 11  9  1  0     0  0
 11 10  2  0     0  0
 11 12  2  0     0  0
M  CHG  6   1   1   2   3   3  -1   4  -1   8  -1   9  -1
M  END
> <ID>
CHEBI:86463

> <NAME>
potassium aluminium sulfate

> <DEFINITION>
A metal sulfate composed of potassium, aluminium and sulfate ions in the ration 1:1:2.

> <STAR>
3

> <SYNONYM>
potassium aluminum disulfate; Potassium aluminum alum; Potassium alum; Potash alum; Burnt potassium alum; Aluminum potassium sulfate; Aluminum potassium disulfate; Aluminum potassium alum; Aluminium potassium bis(sulphate); AlK(SO4)2

> <IUPAC_NAME>
aluminium potassium sulfate (1/1/2)

> <FORMULA>
AlKO8S2

> <MASS>
258.20500

> <MONOISOTOPIC_MASS>
257.84870

> <CHARGE>
0

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

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

> <INCHIKEY>
GRLPQNLYRHEGIJ-UHFFFAOYSA-J

> <CAS_REGISTRY_NUMBER>
10043-67-1

> <REAXYS_REGISTRY_NUMBER>
27446053

> <CHEMIDPLUS>
10043-67-1

> <WIKIPEDIA_ACCESSION>
Potassium_alum

$$$$