Molecule Editor

Molecule ID: FYI-1014904 Edit

Molecule Structure InChIKey: FIFGWLKOQXULPZ-GHMZBOCLSA-N

Molecule Structure SMILES String: CCCCCCCCC(Cl)C(C)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1014904
FYIcenter.com

 35 34  0  0  1  0  0  0  0  0999 V2000
    4.8498    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.1249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6121    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0370    2.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 30  1  0  0  0  0
  8  7  1  0  0  0  0
  9 31  1  0  0  0  0
  9 33  1  0  0  0  0
  9 32  1  0  0  0  0
 10 34  1  6  0  0  0
 10  9  1  0  0  0  0
 11 35  1  6  0  0  0
 11 12  1  0  0  0  0
 11 10  1  0  0  0  0
 11  1  1  0  0  0  0
 13 10  1  0  0  0  0
 15  1  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
 24  6  1  0  0  0  0
 25  6  1  0  0  0  0
 28  8  1  0  0  0  0
 29  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014904-3D
FYIcenter.com

 35 34  0  0  1  0  0  0  0  0999 V2000
    0.9156    0.0748    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354    0.0648    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -0.6213   -1.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -0.6371   -1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -1.3284   -2.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386   -1.3528   -2.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -2.0331   -3.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860   -2.0044   -3.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985   -2.7093   -4.9901 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6393   -1.9243   -6.5123 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7420   -2.7595   -4.9794 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4300   -1.3976   -4.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3317   -3.7699   -3.6129 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.5685    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174   -0.9451    0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176    0.6131   -0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013   -0.4525    1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    1.0968    0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5943   -0.1015   -2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916   -1.6502   -1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759   -1.1569   -0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    0.3910   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6335   -0.8050   -3.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285   -2.3548   -2.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9195   -1.8801   -1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210   -0.3249   -2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390   -1.5175   -4.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011   -3.0711   -3.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9528   -2.4828   -2.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9159   -0.9590   -3.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8121   -3.7344   -5.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0870   -3.2755   -5.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1553   -0.8403   -4.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1781   -0.7808   -5.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5199   -1.5128   -4.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
M  END
$$$$