Molecule Editor

Molecule ID: FYI-1015282 Edit

Molecule Structure InChIKey: FRXTXXJUPHVEGS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015282
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5770    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    5.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6479    7.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104    6.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7897    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0018    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0018    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2143    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674    1.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4459    1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    1.8856    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015282-3D
FYIcenter.com

 47 47  0     1  0  0  0  0  0999 V2000
    2.9058   -1.1671   -1.0958 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.7779   -0.0025   -1.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5977   -0.8794    0.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9879   -0.4017   -2.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153    2.1860    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286   -0.6674    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523    0.8895   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403   -0.4832   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019    0.7222    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5811    3.1839    0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739    2.8661   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.0900    1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -0.1488   -0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3769    0.5702    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5234   -0.9639   -1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8949   -1.8479    1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291   -1.5213   -0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1795   -1.3542   -1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126   -1.7399    1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -1.3306    2.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734    1.5075    0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578    2.8174    1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.4366    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789    4.1363    1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1906    2.9546   -1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8122    2.3262   -1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3342    3.8786   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    1.5662    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    1.5544    2.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858    3.0849    1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3437    1.4491    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8993    0.8229    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4356    0.3837    1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2029   -1.8950   -1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4016   -0.1571   -1.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5947   -1.0647   -0.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3173   -1.6826    2.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5605   -2.7972    0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9450   -1.9791    1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -2.4679   -0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288   -2.1805   -1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -1.6675    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4646   -2.7803    1.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448   -0.3049   -2.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322   -1.3874    2.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182   -0.2923    2.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6758   -1.9744    3.5045 H   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
  2 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 44  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
$$$$