Molecule Editor

Molecule ID: FYI-1002987 Edit

Molecule Structure InChIKey: QFBWOLBPVQLZEH-VFUOTHLCSA-M

Molecule Structure SMILES String: O=S(=O)([O-])C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002987
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.9841    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1965    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1965    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    6.3633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  1  8  1  6  0  0  0
  6  9  1  1  0  0  0
  5 10  1  6  0  0  0
  4 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002987-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    3.0242   -0.1540   -0.1315 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349   -0.9656    0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533    2.6248   -0.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744    1.7926    0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5136   -0.9519   -0.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5396   -2.7414    0.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    0.3533   -1.5030 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1974    0.2804    0.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894   -1.5715    0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213    1.3563    0.3509 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3597    0.3289    0.0064 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0727    0.9365   -0.2273 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3967   -0.5163    0.1215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2151   -1.4377   -0.1815 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6909    0.6656    0.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042    1.4715    1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4855    0.2964   -1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0999    1.0944   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899   -0.6022    1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -1.5212   -1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031    0.3581    1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    1.7360    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2642    2.5304   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0865    1.6626    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2736   -0.8831   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058   -3.3745   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$