Molecule Editor

Molecule ID: FYI-1016336 Edit

Molecule Structure InChIKey: IZUOFDKRBUHNPE-KADUPEOVSA-M

Molecule Structure SMILES String: [2H]CC(C[2H])C[2H].[Cl-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016336
FYIcenter.com

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8498    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.3200    2.2516    0.0000 Cl  0  5  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  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016336-3D
FYIcenter.com

 15 13  0  0  0  0  0  0  0  0999 V2000
    1.1467   -0.1476    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549   -0.1431    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485   -1.1883    1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203   -2.5854    0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   -2.6050    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793   -1.1633    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056   -1.9021    1.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1847    1.4686   -1.8732 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.6167    0.8717    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -0.3564   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359   -0.9401    2.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304   -3.3359    1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -2.8708   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7576   -0.1559    1.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330   -1.4069    0.1551 H   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
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
$$$$