Molecule Editor

Molecule ID: FYI-1007699 Edit

Molecule Structure InChIKey: MBKZQRGCALVRRG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCOC(=O)C1CCCCC1C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007699
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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    1.4000    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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  1  0  0  0  0
 17 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007699-3D
FYIcenter.com

 50 50  0  0  1  0  0  0  0  0999 V2000
    0.9054    0.0370    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0186    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581   -1.1603    0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4844   -1.1769    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174   -2.3570    1.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5434   -2.3709    1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0697   -3.5512    2.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927   -3.5737    2.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1214   -4.7671    3.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5514   -4.7731    3.3092 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1109   -5.2764    2.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955   -5.8421    1.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6254   -5.1330    2.2011 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1029   -3.9252    3.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6190   -3.7773    3.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1728   -3.7395    1.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7189   -4.9507    0.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1929   -5.1072    0.7685 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5773   -4.0187   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7940   -3.1652    0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386    0.8893   -0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.1252    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5050   -0.8778   -0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960    0.9593    0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902   -0.0427   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -2.0996    0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891   -1.0950    1.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -0.2390    1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556   -1.2403   -0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419   -3.2944    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6455   -2.2957    2.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9220   -1.4328    2.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9162   -2.4349    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6920   -4.4878    2.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6986   -3.4900    3.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9908   -2.6470    2.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9677   -3.6041    1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7175   -5.7184    2.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8277   -4.6836    4.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9940   -6.0432    2.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7770   -4.0240    4.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6420   -3.0022    2.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0709   -4.6147    3.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9025   -2.8616    3.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2676   -3.7091    1.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8472   -2.8168    1.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1684   -5.8552    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1018   -4.8611   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9467   -6.0530    0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8930   -4.0339   -1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 50  1  0  0  0  0
M  END
$$$$