
 OpenBabel04291915363D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -3.1088   23.4644   12.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6941   22.2665   12.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8908   21.3200   11.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212   20.2345   10.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179   19.2880   10.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843   19.4270   10.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0278   22.1275   11.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   17.8556    9.6699 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1788   17.1017   10.6794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1804   18.2866    8.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0617   16.8352    9.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226   15.6874    8.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340   14.8030    8.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617   15.1239    8.1912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8418   13.6046    7.3711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160   12.7712    6.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120   11.6188    6.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256   10.8174    5.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   11.1685    6.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   10.3671    5.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664   13.1223    7.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   12.4076    6.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733   13.1402    7.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7632   12.7603    6.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165   11.6219    6.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0412   23.4025   12.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4308   23.5124   13.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4319   24.3433   12.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660   21.4268   11.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4461   20.1276   10.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2939   19.1723   10.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0182   22.3822   12.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274   15.9896    7.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   15.1587    9.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819   13.3472    7.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975   11.3490    6.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7745    9.6491    5.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   13.9624    7.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698   13.5644    7.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113   11.3769    6.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 25  1  0  0  0  0
 18 19  2  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
>  <SKU>
A10817

>  <Product Name>
S3I-201 (NSC 74859)

>  <CAS>
501919-59-1

>  <M.Wt>
365.3578

>  <Formula>
C16H15NO7S

>  <Synonyms>
S3I201, NSC74859 , NSC-74859

>  <URL>
https://www.adooq.com/s3i-201-nsc-74859.html

$$$$
