Molecule FYI-1003805

A

Molecule Summary:

ID: FYI-1003805
Names:
InChIKey: CEVMYEGHYWMMOA-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003805 Edit

Molecule Structure InChIKey: CEVMYEGHYWMMOA-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003805
FYIcenter.com

 42 42  0  0  0  0  0  0  0  0999 V2000
    0.6213   12.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087   11.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213    5.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    4.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174    3.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5799    0.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9447    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019    0.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4051    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6175    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6643    3.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4530   14.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7120   16.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6175   17.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4051   17.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019   18.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370   18.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409   18.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9447   18.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5799   18.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   17.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   17.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697   16.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   15.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   14.0506    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
  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 21 20  1  0  0  0  0
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 31 30  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 42  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003805-3D
FYIcenter.com

 84 84  0  0  0  0  0  0  0  0999 V2000
   18.7612    7.0242   10.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9710    7.5695   12.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2740    8.3660   13.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3778    8.9099   15.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6688    9.4048   16.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5155   10.0234   18.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4093   10.3772   19.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2034   10.6735   21.4033 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5789    9.5073   21.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3632    8.6500   19.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9996    8.3715   19.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7250    7.4681   18.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2229    7.3867   18.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4814    7.3230   16.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9533    7.3901   16.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4994    6.5968   15.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0810    6.5912   15.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8041    6.1889   14.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9772    5.9146   13.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6262    5.9049   13.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2100    3.6202   10.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-08-09, 797👍, 0💬