Molecule Editor

Molecule ID: FYI-1003142 Edit

Molecule Structure InChIKey: WEALIGPAXDOLFY-VKHMYHEASA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003142
FYIcenter.com

  7  6  0  0  1  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003142-3D
FYIcenter.com

 11 10  0  0  1  0  0  0  0  0999 V2000
    0.9166    0.0011   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398   -0.0239   -0.0672 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9144   -1.2234    0.6323 C   0  3  0  0  0  0  0  0  0  0  0  0
    3.2420   -2.1639    1.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572    0.0258   -1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3765   -0.4794   -2.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774    0.6126   -1.5291 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5092   -0.0257    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992   -0.8562   -0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519    0.9126   -0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7801    0.8627    0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  1  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$