Molecule FYI-1003782

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A

Molecule Summary:

ID: FYI-1003782
Names:
InChIKey: HXBFLKVWNGLGGT-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003782 Edit

Molecule Structure InChIKey: HXBFLKVWNGLGGT-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003782
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.9856    9.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350    7.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9856    2.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661    0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7651    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1548    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638    0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6160    1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5444    2.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1950    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5300    5.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5300    6.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1950    7.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5444    9.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6160   10.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638   10.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1548   11.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7651   11.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753   11.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661   10.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141   10.1542    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
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003782-3D
FYIcenter.com

 52 52  0  0  0  0  0  0  0  0999 V2000
   10.3668   -9.2656   -0.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8581  -10.2367   -0.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1030  -11.2686   -1.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6640  -11.8757   -0.4322 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7676  -13.0930   -0.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3626  -13.2673   -0.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7163  -13.1231   -1.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9032  -12.0460   -2.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8839  -11.2155   -1.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9349   -9.8235   -1.8778 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6812   -9.6856   -1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3442   -8.3716   -0.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9599   -8.5205   -0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4887   -7.2544   -0.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1116   -7.3282   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8970   -5.9377   -0.7274 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4764   -5.7453   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2310   -4.3697   -0.8022 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8842   -4.4007   -0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1701   -3.1748   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970   -3.6790   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6344   -3.3366   -0.9631 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782   -4.6839   -0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8672   -5.8462   -0.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7519   -7.1955   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3150   -7.8906   -0.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8165   -8.7931    0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7655   -8.7757   -1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6111  -10.4107   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7898  -11.7709   -1.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4801  -13.8682   -0.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5660  -13.5004   -1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4712  -12.8483   -0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1473  -14.0457   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7916  -11.4101   -0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0304  -11.5341   -2.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6171  -10.2392   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9369  -10.1188   -1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6975   -9.1986    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5326   -8.8530   -1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6702   -7.8042    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8099   -7.8259   -1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0312   -6.2904    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1489   -6.2278   -1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5665   -4.9431    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5283   -5.0723   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8674   -3.8838    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9256   -4.5251   -1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1698   -4.4060   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5315   -4.9225   -1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4983   -7.5125    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0837   -7.8800   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2464👍, 0💬