Molecule FYI-1007553

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A

Molecule Summary:

ID: FYI-1007553
Names:
InChIKey: JKHBSEMWNFTGPM-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007553 Edit

Molecule Structure InChIKey: JKHBSEMWNFTGPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007553
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
    8.4871    2.1000    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
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007553-3D
FYIcenter.com

 75 74  0  0  1  0  0  0  0  0999 V2000
    0.8668    0.0489   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3851    0.0557   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166    0.7743    1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    0.7822    1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9587    1.5005    2.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4823    1.5093    2.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959    2.2245    3.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5154    2.2326    3.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0280    2.9545    4.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    2.9630    4.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0567    3.6827    6.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5730    3.6840    6.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    4.3895    7.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    4.3708    7.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0488    5.0113    8.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4665    5.0371    8.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9869    5.7658    9.8748 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.5048    5.0910   11.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4243    5.7700    9.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9461    6.5296    8.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4760    6.5770    8.7913 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.0469    5.1580    8.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9649    7.2773    7.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5311    8.6442    7.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0780    9.3093    6.3029 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.5958    9.3206    6.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5887    8.6079    5.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4725   -0.4630    0.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.5496   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543   -0.9764   -0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    0.2795    2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    1.8057    1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8181    1.2808    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   -0.2470    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859    1.0059    3.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9203    3.4604    4.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6830    3.1858    7.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6823    4.7134    6.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9475    4.1835    5.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7201    3.9062    8.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7351    5.4260    7.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9805    4.9057    6.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8691    4.0172    8.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6165    6.7989    9.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8880    4.0720   11.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4107    5.0613   11.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8754    5.6332   12.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5263    7.5364    8.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 65  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 75  1  0  0  0  0
M  END
$$$$

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2024-03-17, 1436👍, 0💬