Molecule FYI-1005792

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A

Molecule Summary:

ID: FYI-1005792
Names:
InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N
SMILES: OCCOCCOCCOCCOCCOCCOCCOCCO

Received at FYIcenter.com on: 2023-11-15

Molecule ID: FYI-1005792 Edit

Molecule Structure InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCOCCOCCOCCOCCOCCOCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005792
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   29.0985    0.0000    0.0000 O   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
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   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
    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
    7.2746    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
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  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
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 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005792-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    1.0729   -0.0393   -0.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954   -0.0332   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9986    1.1308    0.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242    1.1418    0.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9133    2.2254    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4295    2.1949    1.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9174    3.2768    2.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3434    3.2969    2.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8157    4.4642    3.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2373    4.4713    3.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    5.5536    4.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2427    5.5284    4.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7340    6.6115    4.8113 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1575    6.6204    4.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6373    7.7884    5.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0614    7.8015    5.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5420    8.8855    6.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0594    8.8607    6.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5534    9.9416    7.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9767    9.9468    7.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4597   11.1119    8.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8871   11.1305    8.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3653   12.2183    8.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8801   12.1989    8.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3464   12.3338    7.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8584    0.0514   -1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576   -0.9843    0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6186    1.0381    1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    2.0743    0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5507    2.1418    2.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5538    3.1787    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7941    2.2822    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910    1.2429    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7280    3.3958    1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7270    2.3566    2.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4322    4.3652    4.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4337    5.4050    2.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3633    5.4669    5.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641    6.5066    3.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6063    5.6156    2.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6054    4.5761    4.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2520    7.6926    6.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2553    8.7286    5.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1781    8.7979    7.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1800    9.8374    6.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4223    8.9488    5.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4210    7.9067    6.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3578   10.0458    6.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3555    9.0041    7.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0740   11.0141    9.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0778   12.0531    7.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9971   12.1200    9.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9963   13.1613    8.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2722   11.2686    9.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2772   13.0288    9.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0383   11.5605    7.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
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  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
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  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 35  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 59  1  0  0  0  0
M  END
$$$$

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2023-11-23, 2513👍, 0💬