Molecule Editor

Molecule ID: FYI-1011265 Edit

Molecule Names: PICRIC ACID;

Molecule Structure InChIKey: OXNIZHLAWKMVMX-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011265
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    4.5981    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9050    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011265-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.5970    0.0024   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    3.5143   -0.0006 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.5134   -0.0006 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4774    2.4472    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827   -2.4419   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878    1.0943    0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5857   -1.1011   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    2.4516   -0.0002 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.4491    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9788   -0.0029    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5323    1.2084    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5348   -1.2076    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    0.0011    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626    1.2071   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8602   -1.2089    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    2.1467   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060   -2.1496    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9327    0.8025   -0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$