Ketcher 06241516132D 1   1.00000     0.00000     0

 26 12  0     0  0            999 V2000
    6.9950   -4.9326    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    6.9941   -6.4957    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    7.0107   -3.3730    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    9.6838   -2.8221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467   -3.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8086   -3.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1879   -1.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1853   -1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6717   -5.0212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5347   -5.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7967   -5.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1758   -4.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732   -4.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6237   -7.2564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4866   -7.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7486   -7.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277   -6.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1252   -6.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2696   -2.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2335   -4.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2335   -5.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2456   -7.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8558   -7.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8438   -5.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8438   -4.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8798   -2.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0     0  0
  6  4  1  0     0  0
  7  4  2  0     0  0
  8  4  2  0     0  0
 10  9  1  0     0  0
 11  9  1  0     0  0
 12  9  2  0     0  0
 13  9  2  0     0  0
 15 14  1  0     0  0
 16 14  1  0     0  0
 17 14  2  0     0  0
 18 14  2  0     0  0
M  CHG  8   1   2   2   2   3   2   5  -1   6  -1  10  -1  11  -1  15  -1
M  CHG  1  16  -1
M  END
> <ID>
CHEBI:86157

> <NAME>
cadmium sulfate hydrate

> <DEFINITION>
A hydrate composed of cadmium sulfate and water in a 3:8 ratio.

> <STAR>
3

> <SYNONYM>
CdSO4.8/3H2O; Cadmium sulphate octahydrate; Cadmium sulfate octahydrate; Cadmium sulfate hydrate (3:8); Cadmium sulfate (1:1) hydrate (3:8)

> <IUPAC_NAME>
cadmium sulfate--water (3/8)

> <FORMULA>
Cd3H16O20S3

> <MASS>
769.54300

> <MONOISOTOPIC_MASS>
773.64980

> <CHARGE>
0

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

> <INCHI>
InChI=1S/3Cd.3H2O4S.8H2O/c;;;3*1-5(2,3)4;;;;;;;;/h;;;3*(H2,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;;/p-6

> <INCHIKEY>
AGHQMAQBLOTWPQ-UHFFFAOYSA-H

> <CAS_REGISTRY_NUMBER>
7790-84-3

> <REAXYS_REGISTRY_NUMBER>
16542202

> <CHEMIDPLUS>
7790-84-3

> <WIKIPEDIA_ACCESSION>
Cadmium_sulfate

$$$$