Molecule FYI-1002719

A

Molecule Summary:

ID: FYI-1002719
Names:
InChIKey: ROKUSYWWSPXHQV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC2CCCCCCCCCCC2

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

Molecule ID: FYI-1002719 Edit

Molecule Structure InChIKey: ROKUSYWWSPXHQV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC2CCCCCCCCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002719
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    9.6975    3.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    4.1662    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1852    5.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7386    3.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4372    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    6.9986    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    6.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    8.3983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4244    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8487    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
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 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002719-3D
FYIcenter.com

 61 62  0     0  0  0  0  0  0999 V2000
    1.8324   -2.9851    1.0095 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940    2.7296   -1.6203 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1493    1.7222   -0.0583 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413   -1.9916   -0.5266 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4415    0.4455   -1.6584 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668   -3.5153    1.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6931    4.3077    1.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1861   -0.7280    1.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
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 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1284👍, 0💬