Marvin  07260715572D          

 12 12  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  5  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  1  12  -1
M  END
> <ID>
CHEBI:39006

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

> <STAR>
3

> <SYNONYM>
2-(morpholin-4-yl)ethanesulfonate

> <IUPAC_NAME>
2-morpholin-4-ylethanesulfonate

> <FORMULA>
C6H12NO4S

> <MASS>
194.22982

> <MONOISOTOPIC_MASS>
194.04925

> <CHARGE>
-1

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

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

> <INCHIKEY>
SXGZJKUKBWWHRA-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3668663

> <GMELIN_REGISTRY_NUMBER>
329231

$$$$