Molecule Editor

Molecule ID: FYI-1016262 Edit

Molecule Structure InChIKey: PFURGBBHAOXLIO-OLQVQODUSA-N

Molecule Structure SMILES String: O[C@@H]1CCCC[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016262
FYIcenter.com

  8  8  0  0  1  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  7  8  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016262-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
   -0.6228    1.4822   -0.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2943   -0.5250    0.1372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197    0.9989    0.3541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9144   -0.4457    0.4776 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0740    1.0875    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064   -1.4065   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989    0.1217   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -1.3132   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971    1.6479    1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8256   -0.7564    1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    0.8593    1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    2.1068    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854   -1.1901   -1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562   -2.4342   -0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9478    0.1582    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730    0.4443   -1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462   -1.9550   -0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685   -1.6937    0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3189    2.4056   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5706   -1.4512    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$