Molecule FYI-1014295

A

Molecule Summary:

ID: FYI-1014295
Names:
InChIKey: HATLWJUOEHRKQC-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)Oc1cc(C(C)(C)C)ccc1C(C)(C)C

Received at FYIcenter.com on: 2025-03-25

Molecule ID: FYI-1014295 Edit

Molecule Structure InChIKey: HATLWJUOEHRKQC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(=O)(OCC)Oc1cc(C(C)(C)C)ccc1C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014295
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    4.9000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014295-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
    1.4689   -1.9477   -1.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704   -1.0738   -1.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9553   -1.6234   -1.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7561   -1.0906   -0.3303 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895    0.2594    0.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4459   -2.2999    0.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -1.9400    1.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9431   -3.1585    2.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3605   -1.1748   -0.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2925   -1.0337    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2419   -1.9955    1.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765   -1.8810    2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033   -2.7642    3.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838   -4.2084    3.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9335   -2.9538    4.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551   -2.0233    4.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8645   -0.8252    2.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0264    0.0534    1.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2666   -0.0075    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5856    1.0237   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7928    1.9549   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9779    0.3128   -1.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3960    1.9640   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5838   -1.1500    2.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6507   -4.0695    2.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916   -3.0008    3.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -3.3514    3.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830   -2.8389    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 37  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  1  0  0  0  0
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 23 54  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1154👍, 0💬