Molecule FYI-1003788

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A

Molecule Summary:

ID: FYI-1003788
Names:
InChIKey: JWLHYIHPFQFTRR-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003788 Edit

Molecule Structure InChIKey: JWLHYIHPFQFTRR-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003788
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    0.8888    9.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010    8.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010    4.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8888    3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361    2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    1.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400    0.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890    0.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7869    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1685    0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4691    0.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3124    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7594    5.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9107    6.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7594    7.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124    9.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5906   10.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4691   12.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1685   12.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7869   12.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400   12.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031   11.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361   10.9172    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
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  5  4  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 22 21  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003788-3D
FYIcenter.com

 59 59  0  0  0  0  0  0  0  0999 V2000
   12.1668   -9.9202   -1.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5977  -11.3674   -2.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5234  -11.9898   -1.9928 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7220  -13.3948   -1.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5813  -13.4355   -1.9167 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8618  -14.6201   -1.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2674  -14.2941   -1.4205 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1482  -13.1779   -1.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8394  -11.8723   -1.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4802  -11.8308   -1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9763  -10.5805   -1.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6071  -10.7575   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0900   -9.4855   -1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7303   -9.6324   -1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2130   -8.4182   -0.8121 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8619   -8.6202   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -7.4470   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9925   -7.5557   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3235   -6.7545    0.7761 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9786   -6.7599    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -5.6337   -0.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5980   -5.0143   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5950   -3.6550   -0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3726   -9.2974   -2.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6151   -9.2168   -2.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1389  -10.7504   -2.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
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   22.8598  -13.3953   -0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0950  -12.5265   -0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2583  -12.0917   -2.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6660   -7.4220   -1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929   -6.8329    1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9068   -5.5091    0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9411   -3.3272    0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 38  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
$$$$

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2023-08-09, 3573👍, 0💬