Molecule Editor

Molecule ID: FYI-1011791 Edit

Molecule Structure InChIKey: QKBSTYDTARLHMS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(CC(CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011791
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    3.6373    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    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  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 12  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 10  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011791-3D
FYIcenter.com

 74 74  0  0  1  0  0  0  0  0999 V2000
    2.3465   -9.6257   -3.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7926   -9.7142   -4.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7675   -9.3271   -2.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2537   -9.3212   -3.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1139   -8.8185   -2.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6364   -8.7101   -2.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2194   -7.6573   -3.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -6.2549   -3.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961   -5.0347   -4.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5441   -4.4468   -4.1297 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1223   -4.0662   -2.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5237   -3.4016   -2.6648 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8401   -2.0517   -3.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1671   -0.7154   -2.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941   -0.1323   -1.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2698    0.6910   -1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2998    1.2135    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3707    0.9400    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4254    1.3425    2.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2073    1.7262    3.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4566    0.2161    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6502   -0.0489    1.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5832   -0.3766    2.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4261   -0.2784   -0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7590   -3.2305   -1.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5989   -4.1063   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4906   -3.9475    0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2698   -4.9730   -1.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013   -5.3279   -4.8777 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3133   -5.1753   -6.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065   -6.2238   -6.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6398   -4.3284   -6.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -9.7982   -4.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290   -8.6379   -3.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436  -10.3745   -2.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9206   -9.0442   -4.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925  -10.7344   -4.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6299  -10.0164   -2.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983   -8.3274   -2.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -8.6756   -4.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582  -10.3369   -3.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9509   -9.5141   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7260   -7.8522   -1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0265   -9.7028   -2.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584   -8.4814   -1.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0784   -8.0248   -4.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3012   -7.6101   -3.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6219   -5.9835   -2.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5571   -6.3679   -3.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673   -4.2052   -3.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7833   -5.2275   -5.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4745   -3.4902   -4.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1776   -4.9836   -2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061   -3.4166   -2.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2452   -4.1149   -3.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704   -2.1838   -4.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9234   -1.8907   -3.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1048   -0.7868   -3.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5870    0.0551   -3.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4232    0.9476   -1.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4798    1.8464    0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3070    1.5376    4.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3380    1.1532    2.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0474    2.7980    2.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3916   -1.0867    2.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6452   -0.8679    2.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7619    0.5138    3.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -0.7988   -1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0906   -2.9636    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4812   -4.0346    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8212   -4.7165    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1056   -6.3111   -6.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2174   -5.9305   -8.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5799   -7.1804   -6.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  2  0  0  0  0
 16 17  2  0  0  0  0
 16 60  1  0  0  0  0
 17 18  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
M  END
$$$$