Molecule Editor

Molecule ID: FYI-1016743 Edit

Molecule Structure InChIKey: OOXPWJSEORIQPT-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCCOCCCOCCCOCCCOCCOCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016743
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   30.3109    0.7000    0.0000 O   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 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   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 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  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
 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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016743-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
    8.9048    0.6090   -2.8624 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3254    0.5887   -2.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021    0.2811   -1.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2889   -1.0763   -0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7855   -1.3513    0.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2995   -2.6091    0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7839   -2.8303    2.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575   -1.7337    3.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6828   -1.9940    4.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2265   -0.9674    5.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7614   -1.2391    6.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2802   -1.2403    6.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7589   -1.4803    8.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1865   -1.4752    8.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6926   -1.7461    9.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2116   -1.7655    9.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6931   -0.4964    9.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1152   -0.4613    9.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5630    0.9090    8.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9876    0.9428    8.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4642    2.2065    8.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9862    2.1873    8.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4773    3.4480    7.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9102    3.4655    7.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3736    4.8295    7.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8849    5.8566    7.9692 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6943    1.5662   -3.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6784   -0.1730   -3.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8973    0.3025   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1934   -1.0821   -0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8801   -2.8325    2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4575   -3.8116    2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1624   -1.7172    3.1324 H   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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  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
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  3 30  1  0  0  0  0
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  4  5  1  0  0  0  0
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  7  8  1  0  0  0  0
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 26 64  1  0  0  0  0
M  END
$$$$