Molecule FYI-1006518

A

Molecule Summary:

ID: FYI-1006518
Names:
InChIKey: PMJSUEZTCFTBMD-HZJYTTRNSA-N
SMILES: CCCCC/C=C\\C\\C=C/CCCCCCCCCC(=O)OC(CO)CO

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006518 Edit

Molecule Structure InChIKey: PMJSUEZTCFTBMD-HZJYTTRNSA-N

Molecule Structure SMILES String: CCCCC/C=C\C\C=C/CCCCCCCCCC(=O)OC(CO)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006518
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   15.8145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0269    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0269    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4518    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4518    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0269    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1772    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6917   11.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   10.5000    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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  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  2  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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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006518-3D
FYIcenter.com

 69 68  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

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2024-01-10, 2584👍, 0💬