Marvin  08151213442D          

 13 12  0  0  0  0            999 V2000
    4.0712   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7857   -0.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7857    0.5176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567   -0.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2146    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5001    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9290    1.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435    0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9290    0.9301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435    1.3426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1200   -0.4175    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  8  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
 11  7  1  0  0  0  0
  7  8  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2  12  -1  13   1
M  END
> <ID>
CHEBI:67099

> <NAME>
potassium 2-(N-morpholino)ethanesulfonate

> <DEFINITION>
The organic potassium salt that is the potassium salt of 2-(N-morpholino)ethanesulfonic acid.

> <STAR>
3

> <SYNONYM>
potassium MES; MES potassium salt; 4-Morpholineethanesulfonic acid, potassium salt (1:1); 4-Morpholineethanesulfonic acid, potassium salt; 2-(N-morpholino)ethanesulfonic acid potassium salt

> <IUPAC_NAME>
potassium 2-(morpholin-4-yl)ethanesulfonate

> <FORMULA>
C6H12KNO4S

> <MASS>
233.32700

> <MONOISOTOPIC_MASS>
233.01241

> <CHARGE>
0

> <SMILES>
[K+].[O-]S(=O)(=O)CCN1CCOCC1

> <INCHI>
InChI=1S/C6H13NO4S.K/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);/q;+1/p-1

> <INCHIKEY>
IMFIKFZWLAWMQE-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
16743380

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