Molecule Editor

Molecule ID: FYI-1006312 Edit

Molecule Structure InChIKey: IQTZKEASUCXOIW-UHFFFAOYSA-N

Molecule Structure SMILES String: [H+]=[H]C.CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006312
FYIcenter.com

  5  3  0  0  0  0  0  0  0  0999 V2000
    7.1753    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5753    0.0000    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
    6.4753    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006312-3D
FYIcenter.com

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.5135    0.2536   -1.7010 H   0  3  0  0  0  0  0  0  0  0  0  0
    2.1687    0.2221   -1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    0.3301   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769   -0.2490    1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6845   -0.4703    1.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182   -0.4200   -0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777    1.3492   -0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    0.1598   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768   -0.4135    1.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -0.9133    0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4539    0.7988    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442   -1.4492    1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  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
  5 12  1  0  0  0  0
M  END
$$$$