Molecule FYI-1014802

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A

Molecule Summary:

ID: FYI-1014802
Names:
InChIKey: ZTOUDZGTXQOXCW-UHFFFAOYSA-N
SMILES: CCCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014802 Edit

Molecule Structure InChIKey: ZTOUDZGTXQOXCW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1014802
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   23.0363    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 C   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
    7.2745    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 F   0  0  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014802-3D
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    1.0280    0.0698   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.0633   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145   -0.2086    1.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.2108    1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1083   -0.4719    2.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5284   -0.4808    2.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738   -0.7615    4.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3950   -0.7667    4.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8894   -1.0375    5.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4051   -1.0421    5.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989   -1.3436    6.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3170   -1.3071    6.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8659   -1.5371    8.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2984   -1.5408    8.1627 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8609   -0.2713    7.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3825   -0.3522    7.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8355   -0.6124    9.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7790    0.4478   10.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4195    1.5799    9.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2101    0.0388   11.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5068   -1.2874   11.6038 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3225    0.7117   11.8913 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2467    0.2971   12.4127 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476    0.2672   -1.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6431    0.8460    0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0116    0.7630    1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043   -0.9888    0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    0.4866    2.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9241   -1.2516    2.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5850   -1.7299    4.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880    0.0105    4.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229   -2.0100    5.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5377   -0.2712    6.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663   -0.0608    5.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7636   -1.7883    4.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6318   -0.3269    6.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7190   -2.0672    6.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5267   -2.5135    8.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4796   -0.7914    8.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4623    0.4934    8.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6001   -0.0197    6.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8411    0.5665    7.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7364   -1.1843    7.2618 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
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1704👍, 0💬