Molecule FYI-1003786

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A

Molecule Summary:

ID: FYI-1003786
Names:
InChIKey: XGVAXHFYLPALLD-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003786 Edit

Molecule Structure InChIKey: XGVAXHFYLPALLD-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003786
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.0227    8.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481    7.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481    3.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810    1.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631    0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4946    0.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8918    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2669    0.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5338    0.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    1.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353    2.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    4.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262    5.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    6.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6124    9.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5338   10.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2669   10.8858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8918   11.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4946   11.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631   10.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810    9.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003786-3D
FYIcenter.com

 51 51  0  0  0  0  0  0  0  0999 V2000
   11.8183    3.9961   -5.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4381    4.8958   -6.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7399    5.5338   -7.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7222    6.6713   -8.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1744    6.6614   -7.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8714    7.9592   -8.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0949    7.8808   -7.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1580    8.1572   -5.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4249    7.4675   -4.9306 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0139    7.4657   -5.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3715    8.7193   -4.8428 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9728    8.5999   -5.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    7.7532   -4.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0107    7.5280   -4.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3866    6.5787   -3.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0364    6.4506   -4.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516    5.7588   -3.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282    5.8299   -3.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808    5.0476   -2.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5112    4.3037   -1.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0399    2.9701   -1.9352 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5466    2.2713   -3.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9759    2.4579   -3.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792    2.8671   -4.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8692    3.4897   -4.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1617    4.7995   -6.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4162    4.0357   -5.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6287    5.6206   -5.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1896    4.0999   -6.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054    6.7216   -9.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3478    7.6406   -7.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1860    8.1459   -9.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3001    8.8554   -7.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1501    7.7500   -5.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1626    9.2328   -5.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6464    6.7222   -4.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8094    7.1254   -6.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8312    8.1928   -6.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5242    9.5844   -5.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0171    7.1531   -5.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020    8.4314   -4.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045    6.0496   -5.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6554    7.4820   -4.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802    5.5057   -4.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5637    6.8732   -3.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6312    4.2723   -1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762    4.8004   -0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811    2.4575   -3.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3474    1.2319   -2.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943    1.9559   -5.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565    3.5745   -5.1168 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 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 37  1  0  0  0  0
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 14 40  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1915👍, 0💬