Molecule Editor

Molecule ID: FYI-1007940 Edit

Molecule Structure InChIKey: KQGAIKIRKNMYOR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2ccc(Oc1ccc(C(C)(C)C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007940
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.6120    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007940-3D
FYIcenter.com

 47 48  0     0  0  0  0  0  0999 V2000
    0.0131   -2.0077    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    0.9199   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228    0.8979    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    0.1223   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445    0.1302    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0043   -0.0116   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    1.5099    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.0989   -1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0269   -0.0147    0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310    1.5095   -1.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8727    2.1015    1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4173   -0.9451    0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.9612   -0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125    0.5144   -0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4976    0.5035    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762   -1.3010   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -1.2940    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2249   -1.6690    0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002   -1.6796   -0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3201   -0.2093   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -0.2147    0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8297   -0.4769   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1557   -0.8178    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    0.5435   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    2.1490    1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0122    2.1203    1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2353    0.7341    2.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646    2.8379   -0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7061    1.7612   -2.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989    2.6319   -1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8683   -0.4686    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1731   -0.8284   -0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9628    0.5547    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3175    2.1694   -1.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0557    2.0980   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2540    0.7359   -2.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1028    2.8470    0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7383    1.7696    2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8406    2.6151    1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2188   -1.2495    1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -1.2738   -1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    1.3485   -1.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614    1.3394    1.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183   -2.5183    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0853   -2.5290   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    0.0851   -1.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.0804    1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 18  1  0  0  0  0
 12 40  1  0  0  0  0
 13 19  1  0  0  0  0
 13 41  1  0  0  0  0
 14 20  2  0  0  0  0
 14 42  1  0  0  0  0
 15 21  2  0  0  0  0
 15 43  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$