Molecule Editor

Molecule ID: FYI-1009429 Edit

Molecule Structure InChIKey: OYXNYCSRNGJOLT-XDWQGVTOSA-L

Molecule Structure SMILES String: Cc8cc(NS(=O)(=O)c7ccc([N+]2=Cc1cc(Cl)cc(Br)c1O[Zn]24([OH2+])([OH2+])Oc3c(Br)cc(Cl)cc3C=[N+]4c6ccc(S(=O)(=O)Nc5cc(C)on5)cc6)cc7)no8

Download SDF Download SVG Structure in 2D SDF:

FYI-1009429
FYIcenter.com

 57 64  0  0  0  0  0  0  0  0999 V2000
   10.5354   10.7556    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.4882   11.6843    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    9.4882   10.2846    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.1935    9.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   10.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    9.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    8.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    7.4853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274    8.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    7.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    8.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    5.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    4.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    6.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3394    6.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0406    7.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    8.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7003    9.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9124   10.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9124   11.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7003   12.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1245   12.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1245   13.7838    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.3368   11.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3368   10.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5489    9.5848    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1245    9.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4408   12.6129    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.4882   13.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759   13.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759   15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4882   15.8833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   15.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   15.8833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   13.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   13.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   11.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759   10.9844    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2857    9.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    8.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    7.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    6.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    5.3858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    4.6859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    3.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9315    2.4636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640    1.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5864    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9758    4.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6756    5.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4882    7.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4882    8.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  2  0  0  0  0
 18  7  1  0  0  0  0
 19 18  2  0  0  0  0
 19  4  1  0  0  0  0
 20  3  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23  2  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 21  1  0  0  0  0
 30  2  1  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  2  0  0  0  0
 39 32  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 41  2  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 51  2  0  0  0  0
 53 48  1  0  0  0  0
 54 46  2  0  0  0  0
 55 46  2  0  0  0  0
 56 45  1  0  0  0  0
 57 56  2  0  0  0  0
 57 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009429-3D
FYIcenter.com

 85 92  0  0  0  0  0  0  0  0999 V2000
   -3.4274   -5.0811   -5.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4993   -4.7617   -4.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -3.8765   -3.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052   -4.0525   -3.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898   -3.4495   -1.7723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -4.4568   -0.3199 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832   -5.0027    0.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404   -3.2829    0.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -5.3362   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8479   -6.6105    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3587   -6.8463    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3517   -5.7947    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9668   -5.6890    0.3213 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.3026   -6.5148    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9655   -6.0709    2.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4009   -7.1035    3.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1915   -6.8311    4.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7518   -8.1699    5.3046 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.5648   -5.5124    4.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0443   -4.4464    3.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6317   -2.6777    4.1852 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -9.1687   -4.6982    2.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5641   -3.6574    1.9873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9231   -3.7620    0.2230 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   -7.8805   -1.8849    0.1273 O   0  3  0  0  0  0  0  0  0  0  0  0
   -6.4171   -3.3240    1.5786 O   0  3  0  0  0  0  0  0  0  0  0  0
   -9.5891   -4.4233   -0.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3995   -5.7227   -1.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0378   -6.9223   -1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5503   -6.8964    0.1012 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -9.3554   -8.1934   -1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1205   -8.3045   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1364   -9.7802   -1.7266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5497   -7.1905   -2.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1742   -5.9516   -2.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3729   -4.8459   -2.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2651   -3.8693   -1.5882 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.7383   -2.6512   -2.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0439   -2.4112   -3.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5889   -1.2859   -4.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8264   -0.3304   -3.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2361    1.1152   -4.5346 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7049    1.2233   -4.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5617    1.0585   -6.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8179    2.6940   -4.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0845    2.7808   -3.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3778    2.5235   -2.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7288    2.7988   -2.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5876    2.7405   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1630    3.1674   -3.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1944    3.1826   -4.0642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5227   -0.5042   -2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9652   -1.6311   -1.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5024   -4.6557   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2024   -4.4081   -0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -4.9645   -3.5707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410   -5.3569   -4.6797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3811   -4.5226   -5.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6505   -6.1698   -5.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9513   -4.8372   -6.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5798   -3.2466   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7054   -2.4649   -1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1447   -7.3978    0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6553   -7.8267    0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8962   -7.5257    1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1430   -8.1381    3.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2523   -5.3236    5.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1606   -1.4945    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6281   -1.6535   -0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2666   -3.8508    2.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875   -2.4369    1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7089   -9.0772   -0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5436   -7.2516   -2.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8674   -4.8519   -3.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6564   -3.0842   -4.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8462   -1.1629   -5.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6425    3.3894   -4.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7099    2.2147   -1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9855    2.4767    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3904    1.9871   -0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0522    3.7368   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9413    0.2497   -1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742   -1.6612   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8421   -3.7043   -0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8735   -3.3633   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 58  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  2  3  2  0  0  0  0
  2 57  1  0  0  0  0
  3  4  1  0  0  0  0
  3 61  1  0  0  0  0
  4  5  1  0  0  0  0
  4 56  2  0  0  0  0
  5  6  1  0  0  0  0
  5 62  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 55  2  0  0  0  0
 10 11  2  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  2  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 65  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 66  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 37  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 35  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 73  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 74  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 53  2  0  0  0  0
 39 40  2  0  0  0  0
 39 75  1  0  0  0  0
 40 41  1  0  0  0  0
 40 76  1  0  0  0  0
 41 42  1  0  0  0  0
 41 52  2  0  0  0  0
 42 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 77  1  0  0  0  0
 46 47  1  0  0  0  0
 46 51  2  0  0  0  0
 47 48  2  0  0  0  0
 47 78  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 79  1  0  0  0  0
 49 80  1  0  0  0  0
 49 81  1  0  0  0  0
 50 51  1  0  0  0  0
 52 53  1  0  0  0  0
 52 82  1  0  0  0  0
 53 83  1  0  0  0  0
 54 55  1  0  0  0  0
 54 84  1  0  0  0  0
 55 85  1  0  0  0  0
 56 57  1  0  0  0  0
M  END
$$$$