Molecule FYI-1016291

A

Molecule Summary:

ID: FYI-1016291
Names:
InChIKey: DXZDSQNVVJJYNY-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCO)cc1)cc2

Received at FYIcenter.com on: 2025-12-02

Molecule ID: FYI-1016291 Edit

Molecule Structure InChIKey: DXZDSQNVVJJYNY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016291
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    4.5380    9.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960   11.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    9.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960    8.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2629    8.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433    7.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6990   11.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7295   12.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8233   10.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411   10.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6961    9.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4471    8.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0655    6.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8443    5.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1623    5.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9755    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6820    4.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130    3.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2376    2.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5312    2.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000    3.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3373    1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1312    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0300    1.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8945    5.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    5.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    3.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609    3.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6024    9.1758    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  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
 19 24  1  0  0  0  0
 19 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
  9 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 27  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016291-3D
FYIcenter.com

 56 57  0  0  0  0  0  0  0  0999 V2000
   15.6728    4.5473    6.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3752    5.7251    6.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2663    6.7294    6.4362 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9829    6.1879    6.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9320    5.4309    6.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6034    5.8220    6.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3266    6.9725    5.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9473    7.4623    5.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    8.6267    5.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0523    6.4450    5.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    6.8152    5.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9912    7.3256    6.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5477    7.7401    6.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396    8.2691    7.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4928    9.4332    7.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1944   10.5938    7.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4331   10.7299    6.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044   11.7057    7.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3795   11.7823    9.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1197   12.8837    9.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4956   13.9030    8.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785   15.1201    9.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806   15.3383   10.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3764   15.9927    8.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658   17.3587    8.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2860   18.2613    8.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0049   18.2190    7.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0755   19.1577    7.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1196   13.8113    7.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3693   12.7268    6.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3814    7.7240    5.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7054    7.3257    5.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8814    7.6208    6.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7987    5.2293    6.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3794   12.9542   10.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3515   17.6692    7.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3317   18.4700    6.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4281   17.2281    6.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 33  1  0  0  0  0
  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 29  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
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 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$

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2025-12-09, 419👍, 0💬