Molecule FYI-1004138

A

Molecule Summary:

ID: FYI-1004138
Names:
InChIKey: HQXJXOYLPWCMGL-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2023-08-17

Molecule ID: FYI-1004138 Edit

Molecule Structure InChIKey: HQXJXOYLPWCMGL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004138
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
   24.2487    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
   20.6113    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
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004138-3D
FYIcenter.com

 65 65  0  0  1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
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  2  3  1  0  0  0  0
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 19 27  2  0  0  0  0
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 21 22  1  0  0  0  0
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 23 61  1  0  0  0  0
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M  END
$$$$

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2023-08-25, 417👍, 0💬