Molecule Editor

Molecule ID: FYI-1005545 Edit

Molecule Structure InChIKey: WSLGDWXLEXQMIC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(CCO)C(Br)CCC(C)(Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005545
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.7871    3.3124    0.0000 Cl  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
    9.1871    0.8876    0.0000 Cl  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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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  2  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005545-3D
FYIcenter.com

 36 35  0  0  1  0  0  0  0  0999 V2000
    0.6090   -0.0368    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284    0.0785    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7646   -1.0693    0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.0677    0.8736 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8723    0.2605    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3959    0.3633    1.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886    1.6227    2.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959   -2.3372    1.5657 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4959   -2.3326    3.5013 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4267   -3.7011    1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -3.9528   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -5.3202   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -6.5098   -0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876   -5.4276   -1.0484 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9713   -5.4424   -2.6989 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1610    0.8024   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.0220    1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819   -0.9652   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    1.0468    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4898    0.0676   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143   -2.0040    0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3726   -1.0453    1.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517   -1.0975   -0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4798    0.4420    2.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    1.1042    0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125    0.2698    0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8487   -0.4025    2.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4193    2.3183    1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9890   -2.3207    1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3453   -3.8132    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -4.4845    1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -3.8694   -0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062   -3.1575   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5379   -6.5412    0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228   -6.4682   -0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618   -7.4626   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
M  END
$$$$