Molecule FYI-1004383

A

Molecule Summary:

ID: FYI-1004383
Names:
InChIKey: QEQXQJJHYYIFOY-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004383 Edit

Molecule Structure InChIKey: QEQXQJJHYYIFOY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004383
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    7.2431   10.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2431   11.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0307   12.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   11.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   10.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0307    9.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4556   12.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843   13.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3282    8.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674    7.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    6.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873   11.8912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0793   10.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7030    8.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9506    5.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2824    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5791    4.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5393    3.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1631    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2028    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7915    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4597    1.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
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  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004383-3D
FYIcenter.com

 54 55  0  0  0  0  0  0  0  0999 V2000
    2.3364    1.4231  -12.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913    1.5314  -11.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666    1.0752  -12.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    2.1463  -10.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    2.0191   -9.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    2.6261   -8.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547    3.3724   -7.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5374    4.0379   -6.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5946    3.9887   -5.8265 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    4.6946   -6.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    5.4112   -5.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6512    7.6047   -6.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5993    9.7761   -7.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192   11.0435   -7.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2797   11.9535   -6.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5341   13.2302   -6.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   14.2891   -5.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169   15.5136   -5.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986   15.6869   -6.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557   16.9954   -7.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2416   17.3586   -8.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9681   19.5145   -6.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4 32  2  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  2  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
$$$$

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2023-09-16, 293👍, 0💬