Molecule Editor

Molecule ID: FYI-1016014 Edit

Molecule Structure InChIKey: WXSKVKPSMAHCSG-UHFFFAOYSA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016014
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016014-3D
FYIcenter.com

 15 14  0     1  0  0  0  0  0999 V2000
   -1.5235    1.3187    1.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.7796    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9709   -0.6537    0.4789 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6647   -1.1260   -1.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814   -0.9482    0.6569 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8589    0.7097   -0.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0669    1.0015   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089    0.9667   -0.2212 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8926    0.0041    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0745   -0.4082   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -0.0850   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896    0.7886   -1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    1.9967   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9652    1.7032   -0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    1.3765    1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$