
 OpenBabel04291915473D

 66 64  0  0  1  0  0  0  0  0999 V2000
    0.9780    0.0964    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980    0.0964    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    1.5123    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5247    1.5123    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0314    2.9281    0.4577 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5247    3.4444    1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    3.4444    1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5514    2.9281    0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0137    4.2201    0.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400    4.4637    0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1377    3.5418    0.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8340    5.8442    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3540    5.8442    0.9136 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8480    5.3408   -0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5537    6.0550   -1.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5221    4.0978   -0.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    3.6267   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4778    2.2108   -2.2414 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9578    2.2108   -2.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4511    2.7271   -0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    1.6945   -3.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4778    0.2787   -3.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844   -0.2376   -5.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4778   -1.6535   -5.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9573    7.5302    1.1772 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4486    8.4334    0.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4486    8.0485    2.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6673    7.5302    1.1772 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9780    0.0964    0.0151 Na  0  3  0  0  0 15  0  0  0  0  0  0
    0.6214   -0.9003   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6214    0.7297   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6214    0.4598    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -0.2670   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -0.5369    0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    1.8757    1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    2.1456   -0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    1.1489   -0.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    0.8790    1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6747    3.5614   -0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    4.4411    1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    2.8111    2.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    4.0777    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    3.8078    2.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    2.4477    1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9080    2.5647   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9080    2.2949    1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4773    6.2076    1.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4773    6.4774    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106    5.2109    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0544    3.6267   -2.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278    4.2600   -2.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8344    1.5775   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6011    1.2141   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6011    2.8441   -3.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8078    2.0938   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3811    2.7270   -0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8078    3.7238   -0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0544    1.6946   -3.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278    2.3278   -4.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4078    0.2787   -3.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8344   -0.3546   -3.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0544   -0.2376   -5.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278    0.3957   -5.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8344   -2.2867   -4.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8344   -2.0169   -6.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4078   -1.6535   -5.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 28  1  0  0  0  0
 25 27  2  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  28  -1  29   1
M  END
>  <SKU>
A16155

>  <Product Name>
Docusate Sodium

>  <CAS>
577-11-7

>  <M.Wt>
444.55835

>  <Formula>
C20H37NaO7S

>  <Synonyms>
Dioctyl sulfosuccinate sodium salt

>  <URL>
https://www.adooq.com/docusate-sodium.html

$$$$
