Molecule FYI-1009874

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A

Molecule Summary:

ID: FYI-1009874
Names:
InChIKey: BDWYJHVGEIPXSA-VNKDHWASSA-N
SMILES: C/C=C/C=C/CCCCCCCCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009874 Edit

Molecule Structure InChIKey: BDWYJHVGEIPXSA-VNKDHWASSA-N

Molecule Structure SMILES String: C/C=C/C=C/CCCCCCCCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009874
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    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
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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 C   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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009874-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    0.9915   -1.8336   -1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -1.8534   -1.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077   -2.0592   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6483   -2.0722   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3632   -2.2743    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8612   -2.2910    0.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3848   -3.6407    1.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9088   -3.6527    1.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4318   -5.0000    1.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532   -5.0100    1.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4709   -6.3574    2.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9915   -6.3673    2.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5112   -7.7139    2.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0332   -7.7202    2.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5602   -9.0644    3.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0860   -9.0766    3.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5950  -10.4280    3.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1192  -10.4985    3.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5652  -11.8549    4.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8164  -12.7674    4.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9256  -11.9233    4.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4115  -13.1872    4.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253   -1.6383   -2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6986   -2.2207    0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683   -1.9129   -1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8663   -2.4337    1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2173   -1.4947    1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.0775   -0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123   -4.4423    0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148   -3.8506    2.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867   -2.8565    1.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2843   -3.4484    0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0580   -5.7975    1.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584   -5.2074    2.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3300   -4.2134    2.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3295   -4.8060    0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953   -7.1547    1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954   -6.5620    3.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -5.5697    2.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -6.1625    1.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1352   -8.5111    2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1352   -7.9184    3.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4053   -6.9212    3.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4053   -7.5141    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1831   -9.8620    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1832   -9.2697    4.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4604   -8.2801    3.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4604   -8.8734    2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2020  -11.2185    3.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5181  -10.3348    2.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5036  -13.1590    4.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0786  -13.9874    4.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0788  -13.3803    5.7305 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  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
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 11 12  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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2024-05-29, 175👍, 0💬