Molecule FYI-1011428

A

Molecule Summary:

ID: FYI-1011428
Names:
InChIKey: NHQSITBXGSAELD-UHFFFAOYSA-N
SMILES: O=C(O)c3ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011428 Edit

Molecule Structure InChIKey: NHQSITBXGSAELD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011428
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    8.4869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6796    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4611    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1866    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9740    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   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
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8009    4.8963    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
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 13  5  1  0  0  0  0
  1 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 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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 27 26  1  0  0  0  0
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 29 28  2  0  0  0  0
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 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 33  1  0  0  0  0
 39 38  2  0  0  0  0
 39 30  1  0  0  0  0
 40 21  1  0  0  0  0
 41 40  2  0  0  0  0
 41 18  1  0  0  0  0
 37 42  1  0  0  0  0
 14 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011428-3D
FYIcenter.com

 68 70  0  0  0  0  0  0  0  0999 V2000
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   -4.4261   11.7838    6.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9743   10.5554    6.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9671   11.8097    6.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8126   12.8100    6.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2518   12.1510    5.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633   12.9507    5.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567   11.2943    4.3007 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   11.3460    3.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541   12.4771    2.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   12.2887    1.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7969   13.4527    0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1697   13.7073    0.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0023   11.0887    4.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  4 42  2  0  0  0  0
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 42 68  1  0  0  0  0
M  END
$$$$

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2024-08-14, 753👍, 0💬