Molecule FYI-1012236

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A

Molecule Summary:

ID: FYI-1012236
Names:
InChIKey: OPLQDSJPOHPOSZ-SREVYHEPSA-N
SMILES: CCCC/C=C\\CCCCCCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-08-18

Molecule ID: FYI-1012236 Edit

Molecule Structure InChIKey: OPLQDSJPOHPOSZ-SREVYHEPSA-N

Molecule Structure SMILES String: CCCC/C=C\CCCCCCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012236
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   20.6114    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  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  1  0  0  0  0
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 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012236-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    4.1849   -1.9995    7.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531   -2.4429    6.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543   -1.2916    6.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058   -1.7771    5.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9513   -0.7106    4.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8807   -0.9337    3.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765   -2.2416    2.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934   -2.1123    1.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8796   -1.1567    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3243   -1.5637    0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3032   -0.5751    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281   -1.0191    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7279   -0.0383    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1501   -0.4959    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1644    0.4737   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5784   -0.0086    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6288    0.9312   -0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0188    0.4244   -0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2782   -0.5930    0.4327 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9408    1.2778   -0.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2877    0.8725   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5485   -2.8360    7.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5426   -1.1919    7.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7648   -3.2713    6.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221   -0.9125    6.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463   -0.4621    5.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4219   -2.1406    4.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8836    0.2767    5.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5495   -0.1140    3.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753   -3.0056    3.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0665   -2.6353    3.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8713   -1.7808    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -3.1079    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064   -0.1303    1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921   -1.1535   -0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5012   -2.5695    0.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5220   -1.6059    2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    0.4223    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1481   -0.5068   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8986   -2.0223    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8747   -1.0887    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5635    0.9588    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5722    0.0386   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3061   -1.4982   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3017   -0.5725    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0134    1.4747    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0124    0.5509   -1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7160   -1.0150   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7181   -0.0947    1.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5175    1.9301   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
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   23.9536    1.6121   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4837   -0.1008   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4866    0.8383    0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  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 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1382👍, 0💬