
 AC1N0YGA

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.8529    0.6527   -0.5120 C   0  0  0  0  0
    0.7933    0.9837    0.9762 C   0  0  0  0  0
    1.1354    2.4562    1.1894 C   0  0  0  0  0
    0.3573    3.2568    1.6859 O   0  0  0  0  0
    2.3740    2.7975    0.8127 O   0  0  0  0  0
   -0.5975    0.7291    1.5325 N   0  0  0  0  0
   -1.2858    1.3806    1.1281 H   0  0  0  0  0
   -0.9189   -0.2389    1.3692 H   0  0  0  0  0
   -0.6134    0.9077    2.5465 H   0  0  0  0  0
    0.8262   -1.1764   -0.7452 S   0  0  0  0  0
    2.0142   -1.5692    0.0973 O   0  0  0  0  0
   -0.5139   -1.4853   -0.1132 O   0  0  0  0  0
    0.0104    1.0801   -1.0669 H   0  0  0  0  0
    1.7801    1.0069   -0.9737 H   0  0  0  0  0
    1.4689    0.3893    1.5999 H   0  0  0  0  0
    2.4967    3.7527    1.0233 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 16  1  0  0  0
  6  9  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
M  CHG  2   6   1  12  -1
M  END

>  <Chemical Name>
AC1N0YGA

>  <PubChem CID>
3924855

>  <Formula>
C3H7NO4S

>  <Molecular Weight>
153.152000

>  <IUPAC Name>
2-azaniumyl-3-hydroxy-3-oxopropane-1-sulfinate

>  <XlogP>
-4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C(C(C(=O)O)[NH3+])S(=O)[O-]

>  <Isomeric SMILES>
C(C(C(=O)O)[NH3+])S(=O)[O-]

>  <InChI Std. ID>
InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)

>  <InChI Key>
ADVPTQAUNPRNPO-UHFFFAOYSA-N

