Molecule FYI-1006478

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A

Molecule Summary:

ID: FYI-1006478
Names:
InChIKey: VWYIWOYBERNXLX-MDZDMXLPSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1CO1

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

Molecule ID: FYI-1006478 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-1006478
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
  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  2  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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 18 17  1  0  0  0  0
 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-1006478-3D
FYIcenter.com

 62 62  0  0  1  0  0  0  0  0999 V2000
    1.4518   -0.7469   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9663   -0.7508   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -1.3591    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034   -1.3630    0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5172   -1.9729    1.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358   -1.9782    1.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5490   -2.5872    3.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0685   -2.5922    3.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5842   -3.1849    4.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3494   -2.5005    5.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8653   -3.0924    6.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3857   -3.0974    6.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9004   -3.7076    7.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4214   -3.7122    8.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9356   -4.3241    9.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4597   -4.3299    9.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0201   -4.9342   10.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5473   -4.8995   10.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1810   -4.4834    9.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0979   -5.4774   11.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4088   -6.0479   11.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2345   -7.4217   10.9058 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.1121   -0.7862    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4108   -0.9528    1.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4081   -2.5529    1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1683   -3.6110    3.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1691   -2.0121    4.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4895   -2.5141    7.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9402   -6.1326   12.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0338   -9.3246   11.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0301   -8.3940   12.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
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  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
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  9 10  2  0  0  0  0
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 21 58  1  0  0  0  0
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 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 2710👍, 0💬