Molecule FYI-1009506

A

Molecule Summary:

ID: FYI-1009506
Names:
InChIKey: YVGXCYLZIWMFFC-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(O)OCc2ccc(C(C)(C)c1ccc(OCC(O)CO)cc1)cc2

Received at FYIcenter.com on: 2024-05-13

Molecule ID: FYI-1009506 Edit

Molecule Structure InChIKey: YVGXCYLZIWMFFC-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(O)OCc2ccc(C(C)(C)c1ccc(OCC(O)CO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009506
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.4870   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3367    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  2 15  1  0  0  0  0
  2 11  2  0  0  0  0
  8 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009506-3D
FYIcenter.com

 64 65  0  0  1  0  0  0  0  0999 V2000
    7.3111    5.7615   -1.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8932    4.8457   -2.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7888    5.1386   -3.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5342    3.4984   -1.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    3.1751   -0.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1030    2.6923   -2.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.3627   -2.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9695    0.4668   -2.1261 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5518   -0.8060   -1.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6899    0.2934   -3.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8938   -0.4395   -3.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6537   -0.5446   -4.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8932    0.4945   -6.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002   -0.7557   -6.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029   -0.8795   -8.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9796    0.3140   -8.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9299   -2.1285   -8.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0312   -0.9103   -9.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1736    0.1862   -9.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2703    0.2169  -10.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957   -0.8515  -11.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405   -0.9314  -12.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0051   -1.1748   -2.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6532   -1.4425   -2.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 43  1  0  0  0  0
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 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1796👍, 0💬