Molecule FYI-1010716

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A

Molecule Summary:

ID: FYI-1010716
Names:
InChIKey: GKNLVRYWFYXZFU-UHFFFAOYSA-N
SMILES: c1cc2CCCc3cccc(c1)c23

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010716 Edit

Molecule Structure InChIKey: GKNLVRYWFYXZFU-UHFFFAOYSA-N

Molecule Structure SMILES String: c1cc2CCCc3cccc(c1)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1010716
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   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
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010716-3D
FYIcenter.com

 25 27  0     0  0  0  0  0  0999 V2000
    2.8097    0.0058   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865    1.2653    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919   -1.2560    0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    0.0000    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801    1.2340    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854   -1.2311    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4217   -0.0030   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357    2.4378    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -2.4379    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    1.2173   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089   -1.2262   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4256    2.4281   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -2.4340   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.0052   -1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925    0.0081   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    2.1406   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.3559    1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -1.3448    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928   -2.1300   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878    3.3895    0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5021   -3.3873    0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    1.2355   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1956   -1.2490   -0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747    3.3651   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9604   -3.3733   -0.0323 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 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-07-25, 274👍, 0💬