Molecule Editor

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
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   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
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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
    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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 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
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    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
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   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
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  1  2  1  0  0  0  0
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  4 30  1  0  0  0  0
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M  END
$$$$