Molecule Editor

Molecule ID: FYI-1016573 Edit

Molecule Structure InChIKey: QFXKXRXFBRLLPQ-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc3c(c1)[I+]c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016573
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 I   0  3  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    3.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016573-3D
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.5327   -0.0125   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438   -1.2839   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486   -1.4174   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398   -0.2673   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3407    0.9948   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295    1.1325   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0016    2.6047    0.0019 I   0  3  0  0  0  0  0  0  0  0  0  0
    1.3394    0.9962   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    1.1353   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5322   -0.0088   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449   -1.2809   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.4160   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399   -0.2666   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6106    0.0846   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -2.1665   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -2.4093   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808    2.1159    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1782    2.1192    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    0.0896   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726   -2.1626   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -2.4082   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$