Molecule FYI-1003021

A

Molecule Summary:

ID: FYI-1003021
Names:
InChIKey: YASIMYOXMCGFQW-UHFFFAOYSA-N
SMILES: CCCCCCCCNS(=O)(=O)c2c(F)c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c2F

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003021 Edit

Molecule Structure InChIKey: YASIMYOXMCGFQW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNS(=O)(=O)c2c(F)c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003021
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
   11.6120    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
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 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003021-3D
FYIcenter.com

 58 59  0  0  0  0  0  0  0  0999 V2000
    0.9569   -2.0368   -0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -2.0353   -0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046   -2.5357   -1.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5305   -2.5376   -1.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0581   -3.0424   -3.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5858   -3.0520   -3.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1249   -3.5800   -4.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514   -3.5519   -4.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447   -4.4075   -3.6555 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9409   -4.4314   -3.5734 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236   -3.1738   -4.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3046   -4.8899   -2.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5451   -4.2769   -6.1258 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4572   -6.5583   -6.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1481   -6.2794   -7.7728 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519   -7.8737   -6.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3296   -9.2136   -7.5575 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1486   -9.1881   -7.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6282  -10.2188   -8.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7650   -9.8924  -10.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2166  -10.8437  -11.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0123  -13.1940  -11.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7807  -14.0746  -11.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4833  -13.1137  -12.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8555   -9.3274   -4.9429 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1566   -7.3019   -3.3349 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -1.6764    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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 18 30  2  0  0  0  0
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 32 33  1  0  0  0  0
M  END
$$$$

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2023-05-31, 3592👍, 0💬