Molecule FYI-1004146

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A

Molecule Summary:

ID: FYI-1004146
Names:
InChIKey: HEOQXHNKRXRCTO-UHFFFAOYSA-N
SMILES: c2ccc1CCCCCc1c2

Received at FYIcenter.com on: 2023-08-18

Molecule ID: FYI-1004146 Edit

Molecule Structure InChIKey: HEOQXHNKRXRCTO-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1CCCCCc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004146
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    2.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004146-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
   -2.8607   -0.0002    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644   -1.2872    0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    1.2872    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513   -1.4983   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9515    1.4981   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -0.7036   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2942    0.7037   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4883   -1.3892    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881    1.3893    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   -0.6948    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    0.6950    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054   -0.0004   -0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993   -0.0001    0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -2.1242    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639   -1.3212    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6645    1.3218    1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7693    2.1240    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973   -1.2635   -1.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -2.5674   -0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7032    2.5672   -0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973    1.2631   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5107   -2.4765    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    2.4766    0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778   -1.2394    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5774    1.2398    0.5080 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 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2023-08-25, 442👍, 0💬