
 OpenBabel04291915403D

 59 59  0  0  1  0  0  0  0  0999 V2000
   22.6058   -4.3743    4.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3518   -3.8123    3.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4017   -2.8903    2.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3028   -2.3979    2.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1148   -2.8420    2.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0632   -3.7954    3.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1638   -4.2565    4.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3598   -1.3458    1.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9473   -0.9460    0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0038    0.0975   -0.1049 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6378    0.4842   -0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6962    1.5632   -1.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2837    1.9630   -1.9492 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5494    2.4967   -0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7140   -0.4187   -1.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3407    3.0151   -2.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4266    3.4210   -3.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1189    3.5626   -3.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1705    4.5159   -4.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0342    5.0252   -4.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0858    5.9785   -5.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2738    6.4226   -6.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9309    3.1185   -3.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042    6.5080   -6.4469 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705    7.7323   -7.6596 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7101    8.9501   -7.1131 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7078    7.1964   -8.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2885    8.2083   -8.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9742    0.0686   -0.0680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9742    0.0686   -0.0680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.4452   -3.9034    3.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380   -5.4274    4.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6396   -4.1977    5.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2416   -2.4507    2.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1576   -4.1463    4.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1396   -4.9894    4.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8767   -1.7215    0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8784   -0.4919    1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4303   -0.5703    1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4287   -1.7999    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1208    0.8599    0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1192   -0.3698   -0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2132    1.1875   -2.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2148    2.4171   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7651    1.1091   -2.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6123    2.0908   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2481    3.4258   -0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6514   -1.4455   -1.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6826   -0.3912   -1.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0834    4.8572   -4.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1213    4.6838   -4.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9254    6.9908   -6.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2793    2.5503   -2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0333    6.1824   -6.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7699    7.3544   -8.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3296    8.9679   -8.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7716    8.5840   -7.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.0686   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.0686   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  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
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  2  0  0  0  0
 20 51  1  0  0  0  0
 21 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 54  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
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
M  END
>  <SKU>
A12857

>  <Product Name>
E-4031 dihydrochloride

>  <CAS>
113559-13-0

>  <M.Wt>
474.44426

>  <Formula>
C21H29Cl2N3O3S

>  <Synonyms>
E4031, E 4031

>  <URL>
https://www.adooq.com/e-4031-dihydrochloride.html

$$$$
