Molecule FYI-1002431

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A

Molecule Summary:

ID: FYI-1002431
Names:
InChIKey: XGJWQNKXTXSVML-UHFFFAOYSA-N
SMILES: C1OCOCOCO1

Received at FYIcenter.com on: 2023-03-21

Molecule ID: FYI-1002431 Edit

Molecule Structure InChIKey: XGJWQNKXTXSVML-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002431
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.3900    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    2.3900    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
  8  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002431-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.0629    0.7587    0.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588   -1.0629   -0.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    1.0628   -0.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628   -0.7586    0.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670   -0.2779   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2780    1.6669    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2780   -1.6668    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670    0.2778   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    0.1691   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2139   -0.9377    0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689    2.3974    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    2.2137   -0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9378   -2.2135   -0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1689   -2.3973    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2139    0.9376    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974   -0.1693   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-05, 1336👍, 0💬