
 OpenBabel04291915473D

 44 45  0  0  0  0  0  0  0  0999 V2000
    8.5082   -0.0739   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2085    0.1671    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2660   -0.5047   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663   -0.2638   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.7177    0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3943    0.9379    0.9469 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5959    1.4400    1.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8257    1.2120    1.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    0.2951    0.3157 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5360    0.0446    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8931   -0.8682   -0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927   -1.1091   -1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5498   -2.0219   -2.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6072   -2.6936   -2.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4786    0.7163    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8495   -2.2628   -2.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2066   -3.1756   -3.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2640   -3.8473   -3.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1353   -0.4374   -0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9215   -3.4935   -3.4722 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5987   -2.2103   -3.9452 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5911   -3.9791   -2.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0673   -4.6940   -4.6811 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2119    2.4215    2.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499   -1.4861   -1.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648   -1.8041   -1.7942 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0421   -0.5209   -2.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0344   -2.2897   -0.5117 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5107   -3.0046   -3.0031 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0547   -0.9134   -0.9155 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4508    0.5979    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847    0.0696    0.0701 Na  0  3  0  0  0 15  0  0  0  0  0  0
    0.9847    0.0696    0.0701 Na  0  3  0  0  0 15  0  0  0  0  0  0
    8.7826   -0.7753   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9341    0.8685    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934   -0.1973   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1687   -1.3844   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2285   -3.3691   -3.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8573    1.3918    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5738   -1.7466   -1.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8853   -4.5228   -4.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5140    0.2381    0.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    3.1243    3.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3101    0.9986    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 31  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4 30  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7 24  1  0  0  0  0
  7  8  2  3  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 21  2  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  1  0  0  0  0
 26 28  2  0  0  0  0
 26 27  2  0  0  0  0
 30 31  2  0  0  0  0
 31 44  1  0  0  0  0
M  CHG  4  23  -1  29  -1  32   1  33   1
M  END
>  <SKU>
A16120

>  <Product Name>
NSC87877

>  <CAS>
56932-43-5

>  <M.Wt>
503.41608

>  <Formula>
C19H11N3Na2O7S2

>  <Synonyms>
NSC-87877, NSC 87877

>  <URL>
https://www.adooq.com/nsc87877.html

$$$$
