Molecule Editor

Molecule ID: FYI-1004478 Edit

Molecule Structure InChIKey: AZVSIHIBYRHSLB-UHFFFAOYSA-O

Molecule Structure SMILES String: O=Cc1cc[oH+]c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004478
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.9407    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.6407    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004478-3D
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.6849    0.3172    1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2616   -0.1318   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729   -1.2093   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217   -1.8558   -1.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5817   -2.7711   -2.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059   -2.7541   -1.1864 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.1042   -1.7873   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3416    0.2360   -0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644   -1.6380   -2.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040   -3.4733   -3.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3051   -3.3287   -1.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6869   -1.5897    0.5730 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
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$