Molecule FYI-1002692

A

Molecule Summary:

ID: FYI-1002692
Names:
InChIKey: HFJJAVOBUVMVFQ-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NC1CCCCCCC1)c2F

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002692 Edit

Molecule Structure InChIKey: HFJJAVOBUVMVFQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NC1CCCCCCC1)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002692
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.4373    5.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    7.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    7.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    7.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    5.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    5.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    3.6584    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.0584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.8584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    9.2584    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6497    7.8584    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6497    5.0584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622    4.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    3.8459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    6.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876    8.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    9.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9708    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0934    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0934    3.1226    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
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  6  1  2  0  0  0  0
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  4  9  1  0  0  0  0
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  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002692-3D
FYIcenter.com

 51 52  0     0  0  0  0  0  0999 V2000
    0.4905    2.4015   -0.3387 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9325   -2.0168    0.3340 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811   -2.2513    1.0957 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3521    2.6037   -1.0853 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2692    0.7071   -0.8015 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7257    1.9536    0.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4867    2.8042   -1.7362 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    4.6051    1.0974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312   -2.9203    1.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2281   -1.3555    0.3937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8837   -0.3659    0.8273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8028   -2.8366   -1.1594 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775   -1.4552    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816   -1.0206   -1.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398   -1.8534    1.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -2.0925   -1.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722   -0.9453    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136   -2.6436   -1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -1.5103    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810   -1.5972   -0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028   -0.0843    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233    1.1543   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -1.0595    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962   -0.7963    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1192    3.7622    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0169    0.4424   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181    4.9528    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -2.3372    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8118   -0.1283   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -0.6991   -1.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640   -1.8479    2.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0419   -2.8945    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0636   -0.8654    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1025    4.0536    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2112    3.3972    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529    5.2998   -0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143    5.7762    1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037   -3.7832   -1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5631   -2.7124   -1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507    5.4003    1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
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  1 26  1  0  0  0  0
  2  9  2  0  0  0  0
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  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 23  1  0  0  0  0
  4 25  1  0  0  0  0
  5 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 51  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 44  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
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 19 20  1  0  0  0  0
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 19 41  1  0  0  0  0
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 20 43  1  0  0  0  0
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 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
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 26 45  1  0  0  0  0
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 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 2657👍, 0💬