Molecule FYI-1012948

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A

Molecule Summary:

ID: FYI-1012948
Names:
InChIKey: UAALDVDCSVCNCJ-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(CCOCCN)CCC(=O)OCCCC

Received at FYIcenter.com on: 2024-10-31

Molecule ID: FYI-1012948 Edit

Molecule Structure InChIKey: UAALDVDCSVCNCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(CCOCCN)CCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012948
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   19.3989    6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4088    0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 22 21  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012948-3D
FYIcenter.com

 61 60  0  0  0  0  0  0  0  0999 V2000
    2.2453    0.4007    1.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1076   -0.8473    1.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -1.1868    0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -2.4448    0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0777   -2.9052   -0.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4405   -2.8929   -0.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1767   -2.0804   -0.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816   -4.1073   -1.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084   -4.2248   -1.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9423   -5.5340   -2.0366 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6222   -9.3265   -6.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1452   -8.3918   -7.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9554   -5.6483    0.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8479   -6.7241    0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3679   -2.2951    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767   -4.0409   -2.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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 25 61  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1344👍, 0💬