Molecule Editor

Molecule ID: FYI-1009695 Edit

Molecule Structure InChIKey: DPQCZNIGGNJGTD-MVCBGFDASA-N

Molecule Structure SMILES String: CCCCCC/C=C/CCCCCCCCCC(=O)O[C@@H](C)[C@@H](C)OC(=O)CCCCCCC/C=C\CCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009695
FYIcenter.com

 42 41  0  0  1  0  0  0  0  0999 V2000
   41.2228    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
  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  2  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
 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  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  1  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009695-3D
FYIcenter.com

112111  0  0  1  0  0  0  0  0999 V2000
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   16.7156    1.2469   23.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2239    1.1102   21.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8198    2.2090   20.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3280    2.0682   19.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9067    3.1420   18.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1435    4.0311   17.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7212    5.1048   16.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2269    4.9610   15.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8211    6.0593   14.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3295    5.9195   13.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9219    7.0192   12.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4316    6.8868   10.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0271    7.9883   10.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5411    7.8539    8.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1223    8.9390    7.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6295    8.8491    7.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2171    7.8268    7.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2318    9.9844    8.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2319   10.2591    6.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41109  1  0  0  0  0
 42110  1  0  0  0  0
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 42112  1  0  0  0  0
M  END
$$$$