Molecule FYI-1003780

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A

Molecule Summary:

ID: FYI-1003780
Names:
InChIKey: SOAGEOACOBVQSB-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003780 Edit

Molecule Structure InChIKey: SOAGEOACOBVQSB-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003780
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003780-3D
FYIcenter.com

 44 44  0  0  0  0  0  0  0  0999 V2000
    9.6870    1.2759    6.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4026    1.5855    8.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8855    1.3587    8.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3393    0.8693    9.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7831    0.9451    9.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1461    0.3966   11.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8248   -0.8609   11.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2715   -1.4755   10.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2006   -2.1808    9.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1021   -1.8922    8.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7784   -2.2061    7.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4015   -1.7815    6.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923   -1.8542    6.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4664   -1.6662    5.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3624   -2.5374    5.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7795   -2.2935    3.7912 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1610   -1.0350    3.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714   -0.4631    2.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7154    0.6208    3.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4930    1.4975    4.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    1.3139    5.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    1.9748    6.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3431    1.4599    5.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3934    0.2363    6.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3819    2.3160    7.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2117    0.6234    7.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0515    2.0085    9.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4090    0.5303    9.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1568   -1.5341   11.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7037   -0.7350   11.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2636   -1.8486   10.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2835   -3.2536    9.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   -1.7092    8.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6322   -3.2876    7.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   -1.0744    7.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559   -2.8018    6.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -2.3642    5.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6822   -3.5748    5.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9199   -0.2986    4.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3985   -1.1927    4.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3902    1.2022    2.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8117    0.2179    3.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4172    1.7638    5.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    0.2632    5.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$

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2023-08-09, 506👍, 0💬