Molecule FYI-1009280

A

Molecule Summary:

ID: FYI-1009280
Names:
InChIKey: KGKFNDADSPFRCJ-NYYWCZLTSA-O
SMILES: C[OH+]c2ccc(/C=C/C(=O)c1ccc(Cl)cc1)cc2

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

Molecule ID: FYI-1009280 Edit

Molecule Structure InChIKey: KGKFNDADSPFRCJ-NYYWCZLTSA-O

Molecule Structure SMILES String: C[OH+]c2ccc(/C=C/C(=O)c1ccc(Cl)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009280
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009280-3D
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.2197   -0.1235   -0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -0.0355   -0.0294 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.2017    1.1888   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    2.3966    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2146    3.6128    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016    3.6542    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    4.9223   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0020    6.0191    0.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013    7.2674    0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458    7.4399   -0.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6342    8.3260    1.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141    8.0225    2.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074    9.0467    3.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4259   10.3704    3.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3136   11.6217    4.6436 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7475   10.6817    2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8563    9.6598    1.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    2.4483   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5940    1.2260   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085   -1.1707   -0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1112    0.2780   -1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5680    0.4674    0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -0.7960   -0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4471    2.4465    0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    4.5324    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284    4.9416   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1449    6.0504    1.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    6.9973    3.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9704    8.8063    4.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9254   11.7133    1.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213    9.9091    0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3629    2.4503   -0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1862    0.3234   -0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

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2024-05-15, 189👍, 0💬