Molecule FYI-1003858

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A

Molecule Summary:

ID: FYI-1003858
Names:
InChIKey: ASULKFPFLGHOAW-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)CC

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

Molecule ID: FYI-1003858 Edit

Molecule Structure InChIKey: ASULKFPFLGHOAW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003858
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   29.0985    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003858-3D
FYIcenter.com

 80 79  0  0  0  0  0  0  0  0999 V2000
    0.9606   -0.0775    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -0.0757    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.3261    1.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    0.3287    1.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    0.7288    2.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    0.7322    2.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    1.1319    4.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5744    1.1355    4.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    1.5334    5.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6022    1.5348    5.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1127    1.9307    6.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6298    1.9302    6.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    2.3242    8.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6582    2.3258    8.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1676    2.7210    9.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2874    4.1158   10.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2910    4.4809   11.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2783    5.8315   11.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9119    6.6642   10.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8479    0.6223   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0065    2.6317    6.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0333    1.3299    8.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7929    2.0204   10.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7932    3.7174    9.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0374    3.4189    8.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    1.7280    9.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
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  6 40  1  0  0  0  0
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 28 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1338👍, 0💬