Molecule FYI-1009873

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A

Molecule Summary:

ID: FYI-1009873
Names:
InChIKey: NJVKAQGGBANCKG-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCOC(=O)CCC

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

Molecule ID: FYI-1009873 Edit

Molecule Structure InChIKey: NJVKAQGGBANCKG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCOC(=O)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009873
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    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 O   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 C   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  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
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009873-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    1.0243    0.0639   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422    0.0520   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -1.3716    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -1.3854    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1172   -2.8117    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6388   -2.8256    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556   -4.2515    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6763   -4.2632    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930   -5.6887    0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7136   -5.7009    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2288   -7.1281    0.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7468   -7.1469    0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2717   -8.5733    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7946   -8.6009    0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3623   -7.8119    1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8795   -7.8344    1.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3906   -7.0848    2.8805 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4015   -5.7395    2.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9247   -4.9994    3.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8867   -4.0303    4.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6175   -4.7382    4.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7048   -1.8287    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7399   -3.4160   -0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447   -3.2683    1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182   -2.2242    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0136   -2.3696   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783   -4.8535   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7807   -4.7091    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0539   -3.6628    1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0517   -3.8048   -0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161   -6.2885   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162   -6.1474    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0897   -5.1016    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0896   -5.2399   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8505   -7.7274   -0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8540   -7.5867    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0991   -6.5379    1.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1293   -6.6843   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8977   -9.1731   -0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8934   -9.0344    1.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1701   -8.1861   -0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1412   -9.6401    0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6288   -3.2852    3.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8997   -4.0106    5.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8322   -5.4638    5.6503 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
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  8  9  1  0  0  0  0
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  8 39  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 18  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
 20 56  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1137👍, 0💬