Molecule Editor

Molecule ID: FYI-1016171 Edit

Molecule Structure InChIKey: ZWCOGBJQBIIEPG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S1(=O)CCC(CO)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016171
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.5497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016171-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -1.8552    0.1114   -0.0477 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975    0.0481   -1.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118    0.3026    0.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.6178    0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2756   -0.2573    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7006    1.0709   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878   -1.4550   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.3814    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0124   -1.3566    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -0.4633   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373   -0.1895    1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6441    1.0430   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3665    1.9022    0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8510   -2.3816    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259   -1.5368   -1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    1.4676    1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617    2.3201   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226   -2.2120    0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789   -1.3287    1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -0.4968   -1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -1.3928    0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888    0.4689   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$