Molecule Editor

Molecule ID: FYI-1015391 Edit

Molecule Structure InChIKey: WWRIJQJXGHYWAM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(C1(C)C(=O)c2cccc3cccc1c23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015391
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.5202    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3096    4.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821    3.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    1.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5813    1.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8269    1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9994    0.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000    3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7277    3.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    4.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    5.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970    3.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990    3.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960    2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1635    2.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9320    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    0.0000    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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 17  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015391-3D
FYIcenter.com

 37 40  0     1  0  0  0  0  0999 V2000
    0.0018   -2.6297    1.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861   -0.1615    1.1164 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7255    0.8224    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007    0.1523   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -1.5069    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806   -1.2113    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6102   -0.0811    0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.0198    2.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943    0.7763   -0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051    2.2077    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6523   -2.0580   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8626   -0.8787   -0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876    0.7907    0.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686    2.1833   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7815    2.8850   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8981   -0.0731   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7707   -1.4744   -1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0986   -0.8040   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8235    0.8652    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0791    0.0679   -0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4002    0.1478   -1.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2057   -0.6991    3.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4963   -0.2772    3.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6855    0.9999    2.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1197    2.7687    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627   -3.1356   -0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -1.5509   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4234    1.4436    1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859    2.7393   -1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    3.9717   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787    0.3447   -1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552   -2.1121   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2846   -1.4264   -2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5786    1.5504    0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8322    1.1504   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3027   -0.0642   -2.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0959   -0.5742   -1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$