Molecule Editor

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
    0.0000    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 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
    0.5513   -1.4885   -1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278   -2.0453   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423   -2.9568   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401   -0.1007   -1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541   -0.8996   -3.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   -1.5511    1.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.1570   -4.7948    3.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5781   -4.2942    2.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8321   -4.7193    4.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7747   -3.3938    4.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6729   -3.6218    5.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2658   -2.0155    5.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8197   -1.6205    4.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026   -1.1510    5.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2510   -2.6684    5.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4591   -0.6406    3.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873    0.8161    1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7186    1.3818   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5982    2.5569    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973    2.6673   -1.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8387   -0.3501   -1.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2609    1.0371   -2.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631   -0.2907   -2.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1075    2.4847   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178    1.4315   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    2.7310   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  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
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END
$$$$