Molecule FYI-1014166

A

Molecule Summary:

ID: FYI-1014166
Names:
InChIKey: YDCZRAQZBBRHFB-KNTRCKAVSA-N
SMILES: CCOc2c(C)c(C/C=C(C)/CS(=O)(=O)c1ccccc1)c(OCC)c3ccccc23

Received at FYIcenter.com on: 2025-03-07

Molecule ID: FYI-1014166 Edit

Molecule Structure InChIKey: YDCZRAQZBBRHFB-KNTRCKAVSA-N

Molecule Structure SMILES String: CCOc2c(C)c(C/C=C(C)/CS(=O)(=O)c1ccccc1)c(OCC)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014166
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.3373    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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
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   13.3369    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 21 20  2  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25  2  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014166-3D
FYIcenter.com

 61 63  0     0  0  0  0  0  0999 V2000
    3.6844    0.6658   -0.3794 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -2.6186   -0.8235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    2.7235    0.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6712    1.1212    0.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0561    1.4969   -1.5125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -0.3485   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6337   -0.7762   -1.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193   -1.3033   -0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6739   -0.9221    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8495    0.4467    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0895   -0.5087   -3.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6006   -1.4731    1.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0962    0.0491    1.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 61  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1388👍, 0💬