Molecule FYI-1003778

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A

Molecule Summary:

ID: FYI-1003778
Names:
InChIKey: WXQHGYUGCRBHBH-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003778 Edit

Molecule Structure InChIKey: WXQHGYUGCRBHBH-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003778
FYIcenter.com

 18 18  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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003778-3D
FYIcenter.com

 36 36  0  0  0  0  0  0  0  0999 V2000
    3.5491    0.2744    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.9136   -0.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360   -1.9670    0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894   -2.2372   -0.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834   -3.4114    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4713   -3.5323   -0.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406   -2.4187    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5774   -2.5231   -0.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3599   -1.4145    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -0.1825   -0.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796    0.9342    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933    2.1503   -0.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    2.4108    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    3.4300   -0.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3048    3.4904    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503    2.3561   -0.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    2.3300    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1773    1.4111   -0.2666 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6183    0.3761    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    0.2250    1.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675   -1.7430    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798   -2.8501    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -3.4179    1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -4.2903   -0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -1.4929   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2508   -2.4133    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4548   -1.4363    1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3568   -1.5353   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6826    0.9565    1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5761    0.8648   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1611    1.4932    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865    2.7561    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    3.5728    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533    4.3958   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    2.0996    1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8134    3.3145    0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

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2023-08-03, 2749👍, 0💬