Molecule FYI-1007291

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A

Molecule Summary:

ID: FYI-1007291
Names:
InChIKey: TXWRERCHRDBNLG-UHFFFAOYSA-N
SMILES: C12C3C4C1C5C2C3C45

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007291 Edit

Molecule Structure InChIKey: TXWRERCHRDBNLG-UHFFFAOYSA-N

Molecule Structure SMILES String: C12C3C4C1C5C2C3C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007291
FYIcenter.com

  8 12  0  0  0  0  0  0  0  0999 V2000
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916    2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    2.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007291-3D
FYIcenter.com

 16 20  0     0  0  0  0  0  0999 V2000
   -0.9520    0.6596   -0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5693   -0.8085   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    0.4251    0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346   -1.0431    0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346    1.0431   -0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -0.4251   -0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692    0.8084    0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519   -0.6596    0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7268    1.1966   -1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -1.4666   -1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639    0.7712    1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698    1.8921   -1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -0.7712   -1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -1.8921    1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -1.1966    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326    1.4665    1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2024-04-14, 823👍, 0💬