Molecule FYI-1003823

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A

Molecule Summary:

ID: FYI-1003823
Names:
InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2023-07-28

Molecule ID: FYI-1003823 Edit

Molecule Structure InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003823
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  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  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003823-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    0.9752    0.0873   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.0892   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    1.0868    0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5381    1.0906    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0524    2.0881    2.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5712    2.0908    2.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    3.0861    3.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027    3.0902    3.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1160    4.0844    4.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6355    4.0920    4.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1494    5.0875    5.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6709    5.1007    5.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1911    6.0983    6.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7141    6.1051    6.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2873    7.0946    7.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7950    7.0684    7.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4578    6.3239    6.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3203    7.9028    8.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6102    7.4900    8.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4096    6.4521    9.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -0.6297   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5883    1.0789   -0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5835   -0.1896    0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8644    0.3462   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596   -0.9163    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.8313    1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6488    2.0929    0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9200    1.3515    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    0.0875    1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751    1.8285    3.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6799    3.0928    1.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9498    2.3529    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9452    1.0868    2.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7068    2.8232    4.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7092    4.0901    2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792    3.3541    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9769    2.0857    3.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7385    3.8188    5.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7385    5.0878    3.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0105    4.3561    3.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0104    3.0870    4.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7704    4.8205    6.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7704    6.0896    4.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0457    5.3635    4.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0457    4.0954    5.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8137    5.8308    7.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8137    7.1006    5.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0800    6.3574    5.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0805    5.0937    6.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9546    6.8228    8.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9508    8.1091    6.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1421    8.3539    8.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2175    7.0665    7.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8154    6.8636   10.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3717    6.1136   10.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8641    5.5848    9.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  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
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2661👍, 0💬