Molecule FYI-1003856

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A

Molecule Summary:

ID: FYI-1003856
Names:
InChIKey: KNXMUFRWYNVISA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003856 Edit

Molecule Structure InChIKey: KNXMUFRWYNVISA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003856
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   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
   20.6113    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
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    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
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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  9  8  1  0  0  0  0
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 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003856-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    1.0088    0.0877   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    0.0846   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410   -0.8519    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594   -0.8556    1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704   -1.7937    2.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -1.7975    2.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0979   -2.7334    3.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146   -2.7353    3.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1252   -3.6727    4.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6716   -4.6188    5.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1899   -5.5573    6.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7131   -5.5621    6.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2428   -6.5004    7.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0863   -6.5790   10.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9630   -0.7825    2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630   -2.1174    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9886   -1.7200    3.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909   -3.0528    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7496   -4.6875    4.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7496   -3.3542    5.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4544   -6.7801   11.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0791   -6.1573   11.0057 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  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
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 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
M  END
$$$$

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2023-08-09, 387👍, 0💬