Molecule Editor

Molecule ID: FYI-1016767 Edit

Molecule Structure InChIKey: LEYVWRSTHZADHE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCCCOCCCCOCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016767
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.3198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.6197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8412    1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9542    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2462    0.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3592    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6512    0.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016767-3D
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    3.7040    3.1721   -1.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8975    2.8193   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6848    3.6970    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1868    4.7435    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    3.1622    1.7382 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377    3.9685    2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0353    3.7567    2.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4335    2.2965    2.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9275    2.1149    2.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461    2.9311    3.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0456    2.7641    3.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7979    3.6380    4.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2980    3.4669    4.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0508    4.3402    4.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4509    4.1667    4.7937 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1634    4.9859    5.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6523    4.7973    5.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4313    5.6659    6.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9251    5.4891    6.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6313    6.3073    7.2014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    2.5504   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    4.0948   -2.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794    1.8955   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2566    3.6979    3.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2928    5.0312    2.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5853    4.4080    3.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3215    4.0613    1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    1.6404    2.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1650    1.9869    3.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1999    2.4004    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    1.0670    2.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3064    3.0470    2.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3069    1.7128    3.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5106    3.3777    5.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5108    4.6879    4.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5866    3.7276    2.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5863    2.4173    4.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7893    4.0585    6.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7903    5.3925    4.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8923    4.7026    6.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8930    6.0354    5.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9148    5.0514    4.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9146    3.7403    5.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1627    5.4137    7.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1611    6.7216    6.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2209    5.7638    5.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2140    4.4485    6.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3834    7.2305    7.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 43  1  0  0  0  0
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 19 20  1  0  0  0  0
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 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
$$$$