Molecule FYI-1003800

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A

Molecule Summary:

ID: FYI-1003800
Names:
InChIKey: ZOOUPDFZLVEWJK-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003800 Edit

Molecule Structure InChIKey: ZOOUPDFZLVEWJK-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003800
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
    0.8089   10.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    9.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    5.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8089    3.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867    2.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7407    0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0341    0.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8072    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1804    0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4738    0.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4056   10.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6378   12.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4738   13.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1804   13.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8072   14.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072   14.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0341   13.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   13.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   12.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867   11.6378    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
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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
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 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003800-3D
FYIcenter.com

 64 64  0  0  0  0  0  0  0  0999 V2000
   14.0626   -6.2076    6.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7998   -7.4881    6.9189 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6464   -8.2711    7.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4417   -9.5046    7.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9706  -10.5914    8.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7301  -11.7748    8.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8445  -13.2379    9.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3820  -14.7264    9.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2165  -14.7701    8.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5089  -13.5865    8.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0162  -13.2146    7.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0428  -11.9702    6.5467 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3325  -10.4908    5.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9213  -10.3537    5.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3496   -9.3156    4.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9675   -9.3622    5.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6401   -7.5218    3.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847   -7.5255    3.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9589   -6.3614    3.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.0834  -14.2535    9.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
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 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1288👍, 0💬