Molecule Editor

Molecule ID: FYI-1003144 Edit

Molecule Structure InChIKey: VOKUMXABRRXHAR-VKHMYHEASA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003144
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  0  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-1003144-3D
FYIcenter.com

 12 11  0     1  0  0  0  0  0999 V2000
   -0.9659   -0.5364    1.2309 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8442   -0.3513   -0.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5574   -1.3407    0.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    0.6475   -0.4410 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4613    1.9334    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.1612    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100   -0.1913   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1199    0.9029   -1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019    1.7260    1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878    2.5185   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418    2.5522    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.2974   -0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$