Molecule FYI-1014251

A

Molecule Summary:

ID: FYI-1014251
Names:
InChIKey: JNARAUVWCHXVID-VAWYXSNFSA-N
SMILES: CC(C)(CO)COCC(C)(C)COC(=O)/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-1014251 Edit

Molecule Structure InChIKey: JNARAUVWCHXVID-VAWYXSNFSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014251
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
   26.1613    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4613    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7613    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6738    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8862    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2489    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3116    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 36  2  0  0  0  0
 37 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014251-3D
FYIcenter.com

 75 75  0  0  0  0  0  0  0  0999 V2000
    3.5478    9.5273   -2.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1654    5.2211   -0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5930    4.9865   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-04-11, 359👍, 0💬