Molecule Editor

Molecule ID: FYI-1012116 Edit

Molecule Structure InChIKey: YGSDEFSMJLZEOE-UHFFFAOYSA-N

Molecule Structure SMILES String: [H+].O=C(O)c1ccccc1[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1012116
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6373    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 O   0  5  0  0  0  0  0  0  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
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012116-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    0.2626   -2.1794   -0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319    1.3945   -0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -0.6561    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    0.2094    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4094   -0.9983   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4275    1.4075    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8043   -1.0077   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8223    1.3979    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108    0.1904    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349    0.2418    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796    2.3632    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3539   -1.9410   -0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    2.3304    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5968    0.1831    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805   -2.9057   -0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2128    1.4077   -0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$