Molecule FYI-1011353

A

Molecule Summary:

ID: FYI-1011353
Names:
InChIKey: CECUIUIYUPACFJ-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC(O)COc3ccc(C(C)(C)c2ccc(OCC1CO1)cc2)cc3

Received at FYIcenter.com on: 2024-08-05

Molecule ID: FYI-1011353 Edit

Molecule Structure InChIKey: CECUIUIYUPACFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCC(O)COc3ccc(C(C)(C)c2ccc(OCC1CO1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011353
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   13.9876    2.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2901    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6852    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8736    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6655    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6655    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8736    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4573    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2491    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2901    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2901    8.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819    7.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2901    9.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4983   10.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4983   11.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7065   12.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2320   13.2278    0.0000 O   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  4  1  0  0  0  0
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 16  2  1  0  0  0  0
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 28 29  2  0  0  0  0
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 26 27  2  0  0  0  0
 24 30  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011353-3D
FYIcenter.com

 58 60  0     1  0  0  0  0  0999 V2000
   -7.4972    2.2690    1.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7964    1.2405   -0.8146 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533   -1.1737   -0.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -0.3009   -0.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3264    2.1739    0.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909    3.6240   -1.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-08-14, 1571👍, 0💬