Molecule FYI-1013658

A

Molecule Summary:

ID: FYI-1013658
Names:
InChIKey: JLZGEBYKELHIEQ-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCOCCO)cc1)cc2

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013658 Edit

Molecule Structure InChIKey: JLZGEBYKELHIEQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCOCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013658
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
   23.0362   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
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 32 31  2  0  0  0  0
 32 18  1  0  0  0  0
 33  7  1  0  0  0  0
 34 33  2  0  0  0  0
 34  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013658-3D
FYIcenter.com

 60 61  0  0  0  0  0  0  0  0999 V2000
    6.8454   -3.8797    3.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106   -3.8956    4.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2254   -5.0118    4.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4102   -2.6735    4.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133   -1.4402    4.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0736   -0.2676    4.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5387   -0.3111    5.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0926    0.9638    6.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1698    2.0521    6.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6018    0.7449    7.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.9082    8.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2777    2.6860    9.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320    1.8397   10.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831    2.5962   10.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7918    3.7834   11.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2764    3.5812   12.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3689    2.8202   13.0992 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7155    4.2409   15.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5180    4.8449   16.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6801    5.5344   15.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4964    6.2382   16.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2115    6.3116   18.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5301    6.8716   16.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0141    8.5295   17.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492    9.9412   17.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4851   11.7520   18.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 1244👍, 0💬