Molecule FYI-1006480

A

Molecule Summary:

ID: FYI-1006480
Names:
InChIKey: KDITVSIOUAMKSP-HZJYTTRNSA-N
SMILES: C=CCCC/C=C\\C\\C=C/CCCCCCCCCCCC(=O)O

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

Molecule ID: FYI-1006480 Edit

Molecule Structure InChIKey: KDITVSIOUAMKSP-HZJYTTRNSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006480
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    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
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006480-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    2.9270   -0.0581    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -0.2459   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4312   -0.0779    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492   -1.3704    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4998   -1.8294    3.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377   -3.3119    2.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5558   -4.0097    3.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3832   -4.9745    4.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 62  1  0  0  0  0
M  END
$$$$

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2023-12-31, 2435👍, 0💬