Molecule FYI-1003770

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A

Molecule Summary:

ID: FYI-1003770
Names:
InChIKey: ATQACGKIWFZKSA-UHFFFAOYSA-N
SMILES: C1COCCOCCOCCOCCOCCOCCOCCOCCOC1

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

Molecule ID: FYI-1003770 Edit

Molecule Structure InChIKey: ATQACGKIWFZKSA-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCCOCCOCCOCCOCCOCCOCCOCCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003770
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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5127    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1478    0.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5127    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    0.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1138    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4253    6.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5389   11.5064    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   11.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919   10.6334    0.0000 C   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
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 13 12  1  0  0  0  0
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 25 24  1  0  0  0  0
 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-1003770-3D
FYIcenter.com

 66 66  0  0  0  0  0  0  0  0999 V2000
   13.5130    3.6718   -6.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3245    4.6427   -7.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3079    5.3727   -7.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8280    6.6258   -8.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8055    7.4485   -9.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8221    9.0594   -8.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8157   10.1505  -10.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4836    9.6671  -10.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5774    8.8932   -9.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5756    9.6585  -10.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2718    9.4698   -9.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3283    9.0564   -8.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2326    8.2090   -7.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0211    7.5165   -6.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5968    7.2455   -6.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0305    6.3667   -5.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5455    6.3288   -5.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0337    5.6748   -4.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6317    5.5065   -4.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3463    4.6621   -3.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9888    4.3305   -3.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7918    3.4238   -2.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3079    3.3677   -2.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065    2.1281   -1.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7672    4.2252   -7.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5329    5.3813   -6.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1993    7.1246   -7.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7798   11.3160  -10.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7356    8.8385  -11.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9190   10.6362   -9.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6180    9.2012  -11.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0011    8.6972  -10.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1142   10.5602   -9.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4162    8.9135   -7.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6202    6.6281   -6.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3511    6.5110   -4.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4271    5.3686   -5.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2513    5.8817   -6.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2914    2.4497   -2.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    3.5142   -3.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2930    1.1220   -2.7800 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 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
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  4 33  1  0  0  0  0
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  5 35  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END
$$$$

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2023-08-03, 2137👍, 0💬