Molecule FYI-1014250

A

Molecule Summary:

ID: FYI-1014250
Names:
InChIKey: IMKUSPYMUFWIAZ-VQHVLOKHSA-N
SMILES: CC(C)(CO)COCC(C)(C)COC(=O)C/C=C/C(=O)OCC(C)(C)COC(=O)c1ccc(C(=O)O)cc1

Received at FYIcenter.com on: 2025-03-17

Molecule ID: FYI-1014250 Edit

Molecule Structure InChIKey: IMKUSPYMUFWIAZ-VQHVLOKHSA-N

Molecule Structure SMILES String: CC(C)(CO)COCC(C)(C)COC(=O)C/C=C/C(=O)OCC(C)(C)COC(=O)c1ccc(C(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014250
FYIcenter.com

 38 38  0  0  0  0  0  0  0  0999 V2000
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996   10.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996   10.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6115    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1867    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3991   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  9  6  1  0  0  0  0
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 21 13  1  0  0  0  0
  1 22  2  0  0  0  0
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 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014250-3D
FYIcenter.com

 78 78  0  0  0  0  0  0  0  0999 V2000
    3.0365    4.8559    4.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5377   -1.1407    5.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7727   -3.7301    8.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8009   -1.6896    9.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
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 38 78  1  0  0  0  0
M  END
$$$$

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2025-04-11, 427👍, 0💬