Molecule FYI-1003714

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A

Molecule Summary:

ID: FYI-1003714
Names:
InChIKey: YVCOJTATJWDGEU-IONNQARKSA-N
SMILES: C[C@@H]1O[C@H]1c2ccccc2

Received at FYIcenter.com on: 2023-07-21

Molecule ID: FYI-1003714 Edit

Molecule Structure InChIKey: YVCOJTATJWDGEU-IONNQARKSA-N

Molecule Structure SMILES String: C[C@@H]1O[C@H]1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003714
FYIcenter.com

 10 11  0  0  1  0  0  0  0  0999 V2000
    3.1248    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003714-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
    2.0257   -1.1152   -0.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    0.0276   -0.6000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2770    0.1196    0.5172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1713    0.0378   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.6831    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8435   -1.1619   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640    1.2472   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2084   -1.1522    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2290    1.2569    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013    0.0572    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.4455   -1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    0.2144    1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.2182    0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746    0.5248   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    1.7601    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -2.1165   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494    2.1874   -0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7324   -2.0863    0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    2.1986    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641    0.0647    0.5038 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
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2484👍, 0💬