
 OpenBabel04291915453D

 69 71  0  0  0  0  0  0  0  0999 V2000
   14.9265   -6.9508  -14.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5098   -6.9906  -14.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9465   -6.4340  -13.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301   -6.4766  -13.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8799   -5.9329  -12.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5400   -5.8652  -12.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0073   -5.3388  -11.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6734   -5.2713  -11.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1407   -4.7449  -10.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9420   -4.2860   -9.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7387   -6.3241  -13.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536   -4.6748   -9.9342 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997   -4.1274   -8.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096   -4.0622   -8.6399 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3945   -3.5531   -7.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605   -3.4856   -7.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -3.9445   -8.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9746   -3.6836   -7.8319 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615   -3.3565   -7.1468 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659   -2.9869   -6.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5603   -2.4214   -5.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4932   -2.0660   -4.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412   -2.2760   -4.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356   -2.8415   -6.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8821   -3.1969   -6.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -1.4779   -3.1577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3866   -1.1083   -2.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -1.3004   -2.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775   -0.5003   -1.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2084   -0.1525   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -2.9792   -6.3497 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643   -0.0398   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -0.0398   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787    0.4564    0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216    0.4564    0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9931   -0.0398   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -0.5360   -1.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2076    1.1112    2.3552 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.5795    2.5473 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.3257    3.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8888    0.9778    2.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3509   -7.3702  -15.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2471   -7.5163  -13.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2490   -5.9360  -14.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2691   -5.4192  -13.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2672   -6.9995  -12.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1076   -7.4915  -13.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1095   -5.9111  -14.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6231   -4.9861  -10.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0576   -5.6240  -11.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1843   -3.8584   -8.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963   -6.7517  -14.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661   -5.0112  -10.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102   -3.2004   -6.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3763   -3.2025   -6.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5194   -2.2600   -4.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -2.0029   -4.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946   -3.0029   -6.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -3.6315   -7.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239   -1.3239   -2.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185   -0.3389   -0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1674   -0.3139   -0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590    0.2820    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.3415    0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8233   -0.4211   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    0.8377    1.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -0.2122   -0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319   -0.8006   -1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232    0.0445    1.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  4 47  1  0  0  0  0
  4 48  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  2  0  0  0  0
  8 50  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 54  1  0  0  0  0
 16 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  2  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  2  0  0  0  0
 34 66  1  0  0  0  0
 35 38  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 38 41  1  0  0  0  0
 38 40  2  0  0  0  0
 38 39  2  0  0  0  0
 41 69  1  0  0  0  0
M  END
>  <SKU>
A15008

>  <Product Name>
AVL-292 benzenesulfonate

>  <CAS>
1360053-81-1

>  <M.Wt>
581.6152232

>  <Formula>
C28H28FN5O6S

>  <Synonyms>
AVL292 benzenesulfonate, AVL 292 benzenesulfonate

>  <URL>
https://www.adooq.com/avl-292-benzenesulfonate.html

$$$$
