
 OpenBabel04291915383D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.5613   -0.0231    0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705   -0.0983    1.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271   -0.3687    6.0126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616   -0.2872    4.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0593   -0.2287    3.7673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7487   -0.1685    2.7676 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.2719    4.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120   -0.3346    5.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317   -0.3204    5.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -0.3845    6.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6246   -0.3713    5.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4973   -0.4354    6.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176   -0.4222    6.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7807   -0.4929    7.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938    0.5454    8.6497 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5906   -1.6223    8.5161 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0219   -0.4654    7.3628 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793   -0.2432    3.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115   -0.4271    6.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680   -0.3939    6.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -0.4438    7.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686   -0.3120    4.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1533   -0.4947    7.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693   -0.1822    2.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <SKU>
A11945

>  <Product Name>
SMI-4a

>  <CAS>
327033-36-3

>  <M.Wt>
273.2310496

>  <Formula>
C11H6F3NO2S

>  <Synonyms>
SMI4a

>  <URL>
https://www.adooq.com/smi-4a.html

$$$$
