Molecule FYI-1010852

A

Molecule Summary:

ID: FYI-1010852
Names:
InChIKey: RBDIOUBPOLHFMP-NNLKUIAGSA-N
SMILES: C=CC(C)(O)CC/C=C(C)/CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CC/C=C(C)/C

Received at FYIcenter.com on: 2024-07-16

Molecule ID: FYI-1010852 Edit

Molecule Structure InChIKey: RBDIOUBPOLHFMP-NNLKUIAGSA-N

Molecule Structure SMILES String: C=CC(C)(O)CC/C=C(C)/CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CC/C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010852
FYIcenter.com

 52 51  0  0  0  0  0  0  0  0999 V2000
   42.4356    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2232    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0107    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7983    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5858    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3734    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6734    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1609    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9485    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7360    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5236    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8236    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3111    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.1876    0.0000 O   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
   12.8245    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.5240    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   37.0734    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2232    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  2  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  6  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 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 18 16  1  0  0  0  0
 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
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
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 43 42  2  0  0  0  0
 44 40  1  0  0  0  0
 45 36  1  0  0  0  0
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 47 26  1  0  0  0  0
 48 21  1  0  0  0  0
 49 16  1  0  0  0  0
 50 11  1  0  0  0  0
 51  6  1  0  0  0  0
 52  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010852-3D
FYIcenter.com

138137  0  0  1  0  0  0  0  0999 V2000
   11.7008   11.9935   12.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5870   11.7934   13.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9526   10.5015   13.7790 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6876   10.6571   15.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0923    9.4242   13.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2085    8.3352   13.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5338    7.2028    5.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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