Molecule Editor

Molecule ID: FYI-1004804 Edit

Molecule Structure InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004804
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    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    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  3  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004804-3D
FYIcenter.com

 15 14  0     1  0  0  0  0  0999 V2000
   -0.5179    1.3557   -0.1521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4815    0.0201    0.3432 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7346   -0.6996   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765   -0.6826   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412    0.0064    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948    0.0673    1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730   -1.7300    0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6481   -0.7459   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -0.6865   -1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7906   -1.7156    0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6384   -0.1552    0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1726    0.0887    1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0763    1.0124   -0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8884   -0.5583   -0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869    1.7962    0.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
$$$$