Molecule Editor

Molecule ID: FYI-1014884 Edit

Molecule Structure InChIKey: AZUXKVXMJOIAOF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)COCC(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014884
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014884-3D
FYIcenter.com

 23 22  0     1  0  0  0  0  0999 V2000
    0.0013    0.1103   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    0.9923   -0.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    0.9928    0.9428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3819    0.2214    0.2534 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3817    0.2214   -0.2534 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1677   -0.6910    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669   -0.6900   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6637   -0.5781    0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -0.5791   -0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507    0.9267    1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2511    0.9264   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -1.3201    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593   -1.3331   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.3198   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2592   -1.3322    0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6380   -1.1696    1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5282    0.0934    0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8301   -1.2533   -0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368   -1.1711   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279    0.0917   -0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8289   -1.2540    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066    0.3786   -1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    0.3793    1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  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
  9 21  1  0  0  0  0
M  END
$$$$