Molecule Editor

Molecule ID: FYI-1006915 Edit

Molecule Structure InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006915
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    5.0248    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006915-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
    1.1519   -0.6999    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477    1.3261   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -0.7669   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4664    0.0544    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0463    0.1028   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094   -0.0164    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699   -1.3920   -0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1628   -1.4107    0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.7059   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3419   -0.6021    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158    0.6887    0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043   -0.7670    0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038    0.5984    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    0.5974   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$