Molecule FYI-1002768

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A

Molecule Summary:

ID: FYI-1002768
Names:
InChIKey: CJWXGVNXFJTQFT-UHFFFAOYSA-M
SMILES: CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-]

Received at FYIcenter.com on: 2023-04-21

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
   23.0364    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   19.3990    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 13 12  1  0  0  0  0
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 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
   14.6669   -7.9893   -2.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   17.0611  -10.6163   -3.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5737  -10.5461   -3.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1191  -11.7757   -4.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7461  -11.8585   -4.1513 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.1264  -11.6094   -2.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1217  -10.8051   -5.0861 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.9242    0.2874    1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.8697   -0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -1.4881   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097   -2.0712    0.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -1.0786    0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9796   -0.4931   -1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427   -2.8463   -1.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473   -3.4308   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0199   -2.4357    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0151   -1.8532   -1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7763   -4.2057   -2.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7789   -4.7890   -0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520   -3.8002   -0.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499   -3.2146   -2.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130   -5.5665   -2.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8126   -6.1534   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0817   -4.5718   -2.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801   -6.9413   -3.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8803   -7.5214   -1.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1342   -6.5032   -1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1340   -5.9128   -3.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522   -7.7913   -1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0519   -7.2056   -3.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7428   -9.5452   -4.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7431  -10.1318   -2.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7079  -10.8333   -4.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7080  -11.4195   -3.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2169👍, 0💬