Molecule Editor

Molecule ID: FYI-1016362 Edit

Molecule Structure InChIKey: NTDQQZYCCIDJRK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCc1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016362
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016362-3D
FYIcenter.com

 37 37  0     0  0  0  0  0  0999 V2000
   -6.0370   -1.1017   -0.3249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459   -0.2054   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895    0.7607    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267    0.4257    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836    0.2092    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402   -0.5550   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    1.1997    0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6216    0.0613    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953    0.5842    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7308   -0.9219   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    0.6873   -1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8915   -0.0738    1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    0.1186   -1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1542   -0.6425    1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053   -0.5463   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -1.0786    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6571   -0.5731   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7260    1.6587   -0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    1.0905    1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    1.3260   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2421    0.7405    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014   -0.0860   -1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -0.7089    0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1330   -0.8515   -1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444   -1.4654    0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191    1.5434    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    2.0986   -0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    0.9582   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7275    0.3744    1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6728   -1.2329   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7096   -0.4602   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6678   -1.8162    0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619    1.2015   -1.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -0.1555    2.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6901    0.2000   -2.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6252   -1.1598    1.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3367   -0.9401   -1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
$$$$