Molecule FYI-1003888

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A

Molecule Summary:

ID: FYI-1003888
Names:
InChIKey: OUQGOXCIUOCDNN-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1CO1

Received at FYIcenter.com on: 2023-08-04

Molecule ID: FYI-1003888 Edit

Molecule Structure InChIKey: OUQGOXCIUOCDNN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OCC1CO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003888
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4077    1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  4  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003888-3D
FYIcenter.com

 64 64  0  0  1  0  0  0  0  0999 V2000
    1.0228   -0.0504   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401   -0.0569   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0699   -1.4095   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5910   -1.4203   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1063   -2.7757   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6253   -2.7892   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1368   -4.1433   -1.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   -4.1473   -1.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1698   -5.4987   -1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -5.5033   -1.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2027   -6.8550   -2.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7225   -6.8646   -2.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2344   -8.2194   -2.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559   -8.2412   -2.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2695   -9.6006   -3.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3553  -12.1211   -4.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7641   -4.9313   -0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
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 23 64  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1606👍, 0💬