Molecule Editor

Molecule ID: FYI-1003637 Edit

Molecule Structure InChIKey: XSXIVVZCUAHUJO-AVQMFFATSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003637
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
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   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
    2.4249    0.0000    0.0000 C   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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003637-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    9.4915    0.6106    9.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0067   -0.4271    8.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4822   -0.0795    6.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982   -1.1211    5.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744   -0.7665    4.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0036   -1.7819    3.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8518   -2.5087    2.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3893   -3.5283    1.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9085   -4.8907    2.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6824   -5.5925    1.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975   -6.9533    1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7179   -6.9668    1.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2319   -8.3555    2.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7515   -8.3635    2.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5699   -0.7107    4.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9169  -14.4428    3.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 26  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 36  1  0  0  0  0
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  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
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M  END
$$$$