Molecule FYI-1009590

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A

Molecule Summary:

ID: FYI-1009590
Names:
InChIKey: GOZDOXXUTWHSKU-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009590 Edit

Molecule Structure InChIKey: GOZDOXXUTWHSKU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009590
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   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 O   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 C   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  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  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009590-3D
FYIcenter.com

 54 53  0  0  0  0  0  0  0  0999 V2000
    5.1116    5.2921    7.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    4.9134    6.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3367    3.5544    6.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7986    2.6948    6.9679 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0998    3.4409    4.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    2.1666    4.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391    2.1170    4.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794    0.7587    3.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8862    0.6921    3.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.8978    4.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1939    0.8356    4.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9579    1.0888    5.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4553    1.0520    5.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2170    1.2967    6.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    1.2495    6.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4862    1.4887    7.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9864    1.4400    7.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7612    1.6791    8.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2642    1.6325    8.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0356    1.8706    9.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    6.2898    8.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288    4.6181    8.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    5.5794    5.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785    2.0637    3.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299    1.3519    4.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4724    2.3489    4.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2087    2.9139    3.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524    0.5521    2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0988   -0.0334    4.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1658    1.4457    2.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1291   -0.2873    2.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4221    0.1395    5.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821    1.8760    4.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4681    1.5934    3.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4637   -0.1431    3.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6860    0.3334    6.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6788    2.0665    5.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7270    1.8144    4.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7372    0.0779    4.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9434    0.5364    7.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9407    2.2721    6.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9870    2.0099    5.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9884    0.2736    5.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2132    0.7280    8.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2129    2.4636    8.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2578    2.2010    6.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2572    0.4645    6.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4843    0.9184    9.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4846    2.6541    9.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5433    2.3938    7.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5432    0.6576    7.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7940    2.8511   10.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1114    1.8352    9.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7940    1.1064   10.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1282👍, 0💬