Molecule FYI-1003827

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A

Molecule Summary:

ID: FYI-1003827
Names:
InChIKey: LVGKNOAMLMIIKO-VAWYXSNFSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2023-07-28

Molecule ID: FYI-1003827 Edit

Molecule Structure InChIKey: LVGKNOAMLMIIKO-VAWYXSNFSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/CCCCCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003827
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  1  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  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 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
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003827-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    9.4108    2.5367    6.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280    1.9319    4.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4523    0.5104    4.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9681   -0.1001    3.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955   -1.5201    3.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0133   -2.1295    2.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5428   -3.5498    1.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0551   -4.1555    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5674   -5.5516    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3421   -5.9163   -0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8631   -7.3112   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3850   -7.3226   -0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990   -8.7491   -0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4216   -8.7742   -0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9401  -10.2010   -1.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4631  -10.2128   -1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0364  -11.6213   -1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2016  -10.5373   -1.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3628  -12.7901   -2.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0313    3.5564    6.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5045    2.5711    6.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0621    1.9466    7.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8319    1.9297    4.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1154   -0.1073    5.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3072    0.5113    2.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715   -0.1081    3.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1555   -2.1342    4.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5922   -1.5147    3.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3521   -1.5157    1.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -2.1370    1.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2063   -4.1593    2.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6405   -3.5385    1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3889   -3.5326   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609   -4.1733    0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907   -6.2784    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6242   -5.1876   -1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4811   -7.7304   -1.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4915   -7.9425    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7981   -8.3411   -0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7982   -8.1477   -1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5632  -10.6295   -2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5627  -10.8231   -0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8303   -9.7660   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8313   -9.5776   -1.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8849  -13.7202   -1.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1301  -12.6805   -4.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6207  -11.7764   -3.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  2  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
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 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1577👍, 0💬