Molecule FYI-1004480

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A

Molecule Summary:

ID: FYI-1004480
Names:
InChIKey: OOWQBDFWEXAXPB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCOCC(O)CO

Received at FYIcenter.com on: 2023-09-07

Molecule ID: FYI-1004480 Edit

Molecule Structure InChIKey: OOWQBDFWEXAXPB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCOCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004480
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3469    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004480-3D
FYIcenter.com

 62 61  0  0  1  0  0  0  0  0999 V2000
    0.9325    0.0421    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    0.0468    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808    1.3368    0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    1.3437    0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0186    2.6359    1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375    2.6442    1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526    3.9337    1.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5709    3.9404    1.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0832    5.2293    2.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6012    5.2354    2.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130    6.5247    3.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6309    6.5367    3.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1412    7.8292    3.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6598    7.8368    3.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1940    9.1223    4.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7113    9.1040    4.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1892   10.3188    4.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6221   10.3384    4.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0919   11.6438    5.6183 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.6145   12.7499    4.8435 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5723   11.7746    7.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0693   12.9679    7.6517 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5585   -0.8861   -0.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    0.8816   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    0.1235    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214   -0.0604   -0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164   -0.8149    0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    1.4448    1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    2.1982    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    1.2431   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    0.4869    1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418    2.7396    2.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470    3.4964    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    2.5447    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133    1.7848    1.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756    4.0356    2.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6786    4.7954    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9480    3.8422    0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9466    3.0801    2.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7073    5.3283    3.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7086    6.0899    1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9782    5.1367    1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9778    4.3761    3.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7353    6.6253    4.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7363    7.3837    2.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0068    6.4372    2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0071    5.6769    3.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7636    7.9271    4.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7642    8.6874    3.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0313    7.7319    2.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0315    6.9737    4.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8301    9.2409    5.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8259    9.9945    3.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0775    9.0122    3.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0794    8.2551    4.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9826   10.2768    3.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9911    9.4774    5.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1859   11.6901    5.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6635   12.5778    4.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8918   10.9238    7.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4794   11.8269    7.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0363   12.9017    7.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 21 61  1  0  0  0  0
 22 62  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2822👍, 0💬