Molecule FYI-1001269

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Molecule Summary:

ID: FYI-1001269
SMILES: OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2

Received at FYIcenter.com on: 2022-04-21

Molecule ID: FYI-1001269 Edit

Molecule Structure SMILES String: OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001269
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    7.1441    3.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8550    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -2.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -2.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7321   -1.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 21 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001269-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.3379    1.5290    2.7500 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408    1.6384    1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533    1.9183    1.7803 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    1.3894    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    1.0350    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -0.1943    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4456   -1.4689    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6671   -0.0682    0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190   -1.0179    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563   -2.4605    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756   -3.0634   -1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5499   -4.3578   -1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997   -5.0665    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6803   -4.4966    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270   -3.2065    1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950   -6.5722   -0.0901 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.5709   -7.1636   -1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0891   -7.6098    1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630    1.3758    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    2.0291    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6319    3.4147    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6863    3.9459    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    4.1022    0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1102    1.6129    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  5 20  1  0  0  0  0
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  7 31  1  0  0  0  0
  8  9  2  3  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 35  1  0  0  0  0
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 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 1885👍, 0💬