Molecule FYI-1003783

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A

Molecule Summary:

ID: FYI-1003783
Names:
InChIKey: RMMDXAHBCKSHME-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003783 Edit

Molecule Structure InChIKey: RMMDXAHBCKSHME-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003783
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.9190    9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    8.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190    2.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919    1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864    0.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1478    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5127    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2777    0.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1138    4.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1138    8.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5064    9.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5389   11.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777   12.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127   12.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5127   12.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1478   12.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   11.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919   10.6334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003783-3D
FYIcenter.com

 56 56  0  0  0  0  0  0  0  0999 V2000
   12.2841   -6.8636   -3.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1706   -8.0583   -4.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9655   -8.2075   -5.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8245   -9.3320   -6.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5218   -9.5032   -6.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9260  -10.6262   -8.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2654  -10.7188   -9.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0848  -10.7063  -10.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4585   -9.5343  -10.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6174   -8.4572   -9.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3143   -8.0069   -9.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2878   -6.9815   -8.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6357   -5.9207   -7.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2278   -5.9723   -7.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7231   -5.1195   -6.4968 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7978   -4.1683   -5.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3789   -4.2193   -5.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0270   -3.3847   -4.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7966   -2.7433   -5.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5016   -1.6711   -4.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2244   -2.5340   -2.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903   -4.0420   -2.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5405   -6.9077   -3.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7184   -6.9155   -2.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3516   -5.8776   -4.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4944   -8.3469   -4.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2046   -7.2761   -5.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1052   -9.8810   -6.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0584   -3.7873   -6.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7869   -2.3036   -6.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3310   -4.2162   -3.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7926   -5.4063   -4.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
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 20 21  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1776👍, 0💬