Molecule FYI-1012235

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A

Molecule Summary:

ID: FYI-1012235
Names:
InChIKey: OPLQDSJPOHPOSZ-VOTSOKGWSA-N
SMILES: CCCC/C=C/CCCCCCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-08-18

Molecule ID: FYI-1012235 Edit

Molecule Structure InChIKey: OPLQDSJPOHPOSZ-VOTSOKGWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1012235
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   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
   20.6113    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
   18.1865    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
   15.7616    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  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012235-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    1.5399    0.3038    1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0576    0.3170    1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    1.6041    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034    1.6201    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    2.8776   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3933    2.8769   -1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9050    4.1368   -1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252    4.1499   -1.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9364    5.4392   -2.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4557    5.4471   -2.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9715    6.7328   -3.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4916    6.7402   -3.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0056    8.0286   -3.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5266    8.0444   -3.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0439    9.3376   -4.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5669    9.3466   -4.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1395   10.6218   -5.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6552   10.5674   -5.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3102    9.6410   -4.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1843   11.6989   -5.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6185   11.6999   -5.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -0.6201    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    0.3674    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1466    1.1500    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4286   -0.5512    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    0.2276    2.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003    2.4687    0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    1.6915   -0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4748    0.7506   -0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853    1.5409    1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    3.8237    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6699    1.9345   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350    5.0065   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    4.2213   -2.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8078    3.2894   -2.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073    4.0599   -0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5602    6.3023   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5602    5.5318   -3.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8314    4.5836   -3.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8314    5.3541   -1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5956    7.5962   -2.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5957    6.8257   -4.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8661    5.8765   -3.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8662    6.6448   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6282    8.8890   -3.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6259    8.1215   -4.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9004    7.1808   -4.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9028    7.9455   -2.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6655   10.1962   -3.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6654    9.4295   -5.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9322    8.4738   -4.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9323    9.2374   -3.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8054   11.4939   -4.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8054   10.7196   -6.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9641   12.6342   -6.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0008   10.8666   -6.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0008   11.6475   -4.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  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
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  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
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  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
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1038👍, 0💬