Molecule Editor

Molecule ID: FYI-1006222 Edit

Molecule Names: ISOBUTANOL;

Molecule Structure InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006222
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   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
    2.4249    0.0000    0.0000 C   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
    0.0000    1.4000    0.0000 O   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006222-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    1.9594    0.0117    0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -0.0005    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.6763   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5784    1.4500   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7133   -0.7850   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371    0.0176    1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604   -1.7134    0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -0.6727   -1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4652    1.9218    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678    1.5073   -1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919    2.0423    0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960   -0.3250    0.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455   -1.8143    0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -0.8217   -1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -0.4505   -0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  5  1  0  0  0  0
  2  6  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
$$$$