Molecule FYI-1016656

A

Molecule Summary:

ID: FYI-1016656
Names:
InChIKey: JPCJVHPYCQMJDL-UHFFFAOYSA-N
SMILES: CC(=O)OC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCOCCO)cc1)cc2

Received at FYIcenter.com on: 2026-02-06

Molecule ID: FYI-1016656 Edit

Molecule Structure InChIKey: JPCJVHPYCQMJDL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCOCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016656
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    4.8543    8.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543   10.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   10.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423   10.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423    8.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    8.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    8.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344    6.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384   11.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0466   12.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   10.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5513    8.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2432    1.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0320    1.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2753    2.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502    0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0418    0.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    2.1047    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
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 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 34  1  0  0  0  0
 27 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016656-3D
FYIcenter.com

 59 60  0  0  0  0  0  0  0  0999 V2000
    7.1987   -8.4853  -16.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4717   -8.8025  -15.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5612   -9.1435  -14.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -8.6260  -14.5709 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3221   -9.4701  -13.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4835  -10.6773  -13.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401   -8.7565  -12.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -9.4687  -11.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945   -8.8254   -9.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6869   -7.4622   -9.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6822   -6.7559   -8.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -7.2946   -7.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   -5.4261   -8.7079 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5684   -4.6493   -7.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2885   -3.7021   -8.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947   -4.4288   -9.9503 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7199   -3.3948  -11.5612 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4027   -4.9146  -12.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470   -5.4826  -11.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3595   -6.1379  -12.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8499   -6.2325  -14.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6096   -6.9299  -15.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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