Molecule FYI-1006479

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A

Molecule Summary:

ID: FYI-1006479
Names:
InChIKey: VWYIWOYBERNXLX-MDZDMXLPSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1CO1

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006479 Edit

Molecule Structure InChIKey: VWYIWOYBERNXLX-MDZDMXLPSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1CO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006479
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   25.6488    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4364    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2239    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0114    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5866    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3742    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7369    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 O   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
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 19 18  2  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006479-3D
FYIcenter.com

 62 62  0  0  1  0  0  0  0  0999 V2000
    1.5586   -0.3393   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -0.3463   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023   -1.4940   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247   -1.5057   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6403   -2.6539    0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1612   -2.6646    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754   -3.8156    1.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1963   -3.8236    1.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105   -4.9461    2.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4837   -4.7428    3.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9967   -5.8660    4.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5200   -5.8780    4.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0332   -7.0315    5.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5563   -7.0509    5.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0773   -8.2040    6.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5998   -8.2114    6.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1765   -9.3419    6.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6867   -9.2812    6.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3385   -8.4760    6.2977 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2135  -10.3418    7.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5227  -10.7372    7.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3443  -11.6672    6.0192 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6 36  1  0  0  0  0
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  7  8  1  0  0  0  0
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 22 60  1  0  0  0  0
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 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
M  END
$$$$

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2023-12-31, 1885👍, 0💬