Molecule Editor

Molecule ID: FYI-1016707 Edit

Molecule Structure InChIKey: RIEABXYBQSLTFR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016707
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.7158    3.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    2.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9727    3.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    2.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1365    4.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    3.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    1.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    1.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016707-3D
FYIcenter.com

 25 24  0     1  0  0  0  0  0999 V2000
   -0.1117    0.1953    0.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386    1.2983   -0.7187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    0.2704    0.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -1.6341   -0.3301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057    0.2424    0.2442 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0632   -0.6060   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    0.5251    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945   -0.1227   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798   -0.5771    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -0.4540   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9267    0.8623    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.7236    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0314   -1.4394    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -1.0008   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3684    0.9068    1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    1.3575   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8593   -0.5071   -1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167   -0.9831    0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698   -0.9992   -0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204   -1.3918    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8933    0.3777    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9098    1.2355    1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524    1.7188   -0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688    0.8968   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6518    0.9921   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 24  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  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 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$