Molecule FYI-1013012

A

Molecule Summary:

ID: FYI-1013012
Names:
InChIKey: KMRVTBFNIQXJHW-UHFFFAOYSA-N
SMILES: CCCCCCCCCOCC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)OC(=O)CCCCC

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013012 Edit

Molecule Structure InChIKey: KMRVTBFNIQXJHW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCOCC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)OC(=O)CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013012
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   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
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  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
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 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013012-3D
FYIcenter.com

 83 83  0  0  1  0  0  0  0  0999 V2000
    1.1713   10.0831    7.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9839    2.0508   -1.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4436    3.5090   -1.0495 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-11-23, 194👍, 0💬