
 OpenBabel04291915473D

 61 62  0  0  1  0  0  0  0  0999 V2000
    6.2632   11.5734   -1.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854   11.5213   -2.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9791   10.3285   -3.5459 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8725   12.7689   -3.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012   12.4287   -5.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6297   13.9523   -6.1000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2592   13.5472   -7.7480 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2890   12.6708   -8.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629   11.4785   -7.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837   10.6844   -8.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7576    9.4921   -8.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785    8.6979   -8.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    7.4158   -8.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675    6.6388   -8.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169    5.3567   -8.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    4.5887   -8.7623 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1513    3.4356   -8.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721    2.6414   -8.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460    1.4491   -8.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    2.9964   -9.0423 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0668    0.6550   -8.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -0.5374   -8.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    3.0374   -7.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5835    3.8316   -6.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8699    4.9585   -6.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7359   13.0690   -9.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877   15.0709   -8.6979 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1173   14.6658  -10.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3091   15.9453  -11.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8246   15.6137  -12.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0543   14.2819  -12.8446 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5532   13.9608  -14.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7912   13.2349  -11.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497   16.5096  -13.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9734   -0.0151    0.0952 Na  0  3  0  0  0 15  0  0  0  0  0  0
    7.5730   13.4016   -3.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9349   13.2763   -3.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007   11.7959   -5.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3388   11.9212   -5.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1968   13.0398   -7.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3879   11.1725   -7.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587   10.9904   -9.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1826    9.1861   -7.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528    7.1099   -7.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425    6.9448   -9.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471    2.9474   -9.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582    0.9609   -9.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7387   -1.4493   -8.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0164    3.5388   -5.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440    5.5793   -6.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   13.8433  -10.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4168   14.0331  -10.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549   14.1584  -10.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0096   16.5781  -10.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3715   16.4528  -11.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883   14.8615  -14.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8527   13.3280  -14.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908   13.4534  -14.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4275   13.6604  -10.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941   12.6943  -11.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0560   12.5690  -12.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  7 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  2  0  0  0  0
 13 14  2  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 34  2  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  CHG  2   3  -1  35   1
M  END
>  <SKU>
A15983

>  <Product Name>
MK-571 sodium salt

>  <CAS>
115103-85-0

>  <M.Wt>
537.06901

>  <Formula>
C26H26ClN2NaO3S2

>  <Synonyms>
 L-660,711, L660,711, L 660,711, L-660711

>  <URL>
https://www.adooq.com/mk-571-sodium-salt.html

$$$$
