Molecule Editor

Molecule ID: FYI-1006984 Edit

Molecule Structure InChIKey: TUNFSRHWOTWDNC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006984
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    2.4249    0.0000    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006984-3D
FYIcenter.com

 44 43  0     0  0  0  0  0  0999 V2000
   -8.2750    0.6505    0.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2651   -1.3804   -0.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563    0.4532    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -0.3743    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.4439    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7675    0.5253    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2806    0.3867    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0876   -0.2518    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5548   -0.4630    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605    0.5959   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8738    0.3143    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6482   -0.2336   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1431   -0.5389   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9037    0.6403   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4200    0.2795   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1870   -0.1599   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    1.0651    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    1.1416   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4693   -1.0012   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301   -1.0480    0.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9811   -1.1183    0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806   -1.0703   -0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521    1.1748    0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301    1.1838   -0.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835    1.0359    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2967    1.0462   -0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -0.9476   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394   -0.8707    0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5188   -1.1528   -0.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5595   -1.0878    0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3370    1.1834   -1.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3663    1.3129    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9293    0.9838    0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8516    0.9603   -0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6475   -0.8643    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6718   -0.9152   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0862   -1.2222   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1946   -1.1615    0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9200    1.2598   -0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8909    1.2962    0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5283    0.9508    0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4182    0.8848   -1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2931   -0.3798   -0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1106    0.1378    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 44  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  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
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
M  END
$$$$