Molecule Editor

Molecule ID: FYI-1013044 Edit

Molecule Structure InChIKey: DCWVZDHRYQJRFF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)COC(=O)CCCC(C)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013044
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    4.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6999    6.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    6.9990    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013044-3D
FYIcenter.com

 54 54  0  0  1  0  0  0  0  0999 V2000
    1.4449    0.0340   -3.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296   -1.1792   -3.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5057   -0.8181   -2.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261   -2.0170   -2.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6418   -1.6725   -1.5109 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2531   -1.0310   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4725   -1.9409    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5246   -2.9092   -1.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223   -3.4983   -2.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613   -3.3703   -2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1021   -2.5842   -2.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8395   -4.4308   -3.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7163   -5.4334   -2.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893   -6.5821   -3.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1148   -7.5853   -3.0714 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4394   -8.2716   -1.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6511   -8.6384   -4.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339   -8.7714   -4.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5427   -9.7540   -5.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6779  -10.6162   -5.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3031  -10.4967   -5.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7925   -9.5144   -4.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0969   -0.4386   -1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867   -0.0069   -3.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919   -2.3942   -3.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -2.8314   -1.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424   -0.9382   -2.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786   -0.1146   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661   -0.7070    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712   -2.4815    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -1.3505    1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1353   -2.6740    1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9379   -3.6958   -0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411   -2.6598   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3857   -3.9436   -4.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776   -4.9402   -4.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1427   -5.8287   -2.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5861   -4.9168   -2.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7279   -6.1607   -4.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3115   -7.0995   -4.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9685   -7.0168   -2.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5179   -8.7848   -2.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1866   -7.5508   -1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1051   -9.0165   -1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -8.1148   -3.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6166   -9.8496   -5.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0745  -11.3838   -6.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6236  -11.1676   -6.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158   -9.4475   -4.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  2  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
$$$$