Molecule Editor

Molecule ID: FYI-1002768 Edit

Molecule Structure InChIKey: CJWXGVNXFJTQFT-UHFFFAOYSA-M

Molecule Structure SMILES String: CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1002768
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   24.2488    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  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
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002768-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    1.0348    0.0819    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521    0.0736    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -1.2748   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6030   -1.2859   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1201   -2.6358   -0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6407   -2.6460   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1546   -3.9964   -1.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   -4.0093   -1.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1897   -5.3601   -1.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7102   -5.3698   -1.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2474   -6.7137   -2.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7668   -6.6987   -2.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2437   -7.9646   -2.7837 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1280   -9.3520   -3.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5473   -9.3610   -3.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9092  -10.3148   -2.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9093   -9.7302   -4.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
$$$$