Molecule FYI-1005324

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Molecule Summary:

ID: FYI-1005324
Names:
InChIKey: LOWPRQCFTCDYLX-UHFFFAOYSA-N
SMILES: O=C1CC2CC[C-]1C2

Received at FYIcenter.com on: 2023-10-25

Molecule ID: FYI-1005324 Edit

Molecule Structure InChIKey: LOWPRQCFTCDYLX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CC2CC[C-]1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005324
FYIcenter.com

  8  9  0  0  0  0  0  0  0  0999 V2000
    4.2397    1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842    2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3098    1.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1184    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7745    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.1786    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0485    0.2127    0.0000 C   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  8  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005324-3D
FYIcenter.com

 17 18  0  0  1  0  0  0  0  0999 V2000
    1.0509   -0.0654    0.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654   -0.0187    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1365    1.1202   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    0.4576   -0.1856 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7354   -0.6774   -1.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7664   -1.7811   -0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814   -1.1345    0.4911 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.3194   -0.3391    1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9919    1.9860    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    1.3664   -1.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402    1.1790   -0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7683   -1.0430   -1.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230   -0.3521   -2.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3019   -2.7014   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -2.0059   -1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744   -0.9673    1.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0106    0.2664    1.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1636👍, 0💬