Molecule FYI-1001998

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A

Molecule Summary:

ID: FYI-1001998
SMILES: CCCCC/C=C\\C/C=C\\CCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC/C=C\\C/C=C\\CCCCC

Received at FYIcenter.com on: 2023-01-13

Molecule ID: FYI-1001998 Edit

Molecule Structure SMILES String: CCCCC/C=CC/C=CCCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC/C=CC/C=CCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001998
FYIcenter.com

 46 45  0  0  0  0  0  0  0  0999 V2000
   23.0363    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    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
  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  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 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001998-3D
FYIcenter.com

125124  0  0  1  0  0  0  0  0999 V2000
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    8.6717    4.8743   -7.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1720    3.8426   -6.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7094    4.1850   -4.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2162    3.1450   -3.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7718    3.4726   -2.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6356    3.6977   -1.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1907    4.0207   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7041    5.3541    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4928    5.5005    1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089    6.8350    1.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5252    6.8357    1.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0570    8.1916    2.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5744    8.1634    2.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1298    9.5010    2.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6451    9.4808    2.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1291   10.8460    3.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6337   10.9360    3.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1175   12.3104    3.5220 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.6137   12.5817    4.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9939   11.7292    5.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7182   10.7396    5.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2964   11.8835    0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.6530   12.3306   -2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1467   12.3917   -2.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 49  1  0  0  0  0
  2  3  1  0  0  0  0
  2 50  1  0  0  0  0
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M  END
$$$$

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2023-02-05, 1031👍, 0💬