Molecule FYI-1005874

A

Molecule Summary:

ID: FYI-1005874
Names:
InChIKey: OPTISPWJJYIRDN-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCOCO)cc1

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005874 Edit

Molecule Structure InChIKey: OPTISPWJJYIRDN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCOCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005874
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   25.4610    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    7.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   10.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4869   10.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 18 24  1  0  0  0  0
 18 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005874-3D
FYIcenter.com

 60 60  0  0  0  0  0  0  0  0999 V2000
    9.9956   -5.0353  -10.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5294   -4.9099   -9.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944   -5.5379   -8.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1489   -4.0838   -8.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9627    1.5010   -6.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4709    1.3235   -6.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 35  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 41  1  0  0  0  0
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 22 31  2  0  0  0  0
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 32 60  1  0  0  0  0
M  END
$$$$

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2023-11-25, 418👍, 0💬