Molecule Editor

Molecule ID: FYI-1009503 Edit

Molecule Structure InChIKey: NKVTYAQSEJBFHE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(=O)CCCCCCCCCCCCCC(O)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009503
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    4.8498    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
    0.0000    0.0000    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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
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  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  1  0  0  0  0
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 13 12  2  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009503-3D
FYIcenter.com

 89 88  0  0  1  0  0  0  0  0999 V2000
   14.5440    4.9027   -7.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3601    4.3245   -5.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5733    2.8192   -5.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3879    2.2355   -4.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6021    0.7331   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4164    0.1515   -3.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6325   -1.3493   -3.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4495   -1.9337   -1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6662   -3.4348   -1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$