Molecule Editor

Molecule ID: FYI-1016579 Edit

Molecule Structure InChIKey: OYZJMUBMSJPTSG-UHFFFAOYSA-N

Molecule Structure SMILES String: FC(F)(F)C2(C(F)(F)F)O[I+]c1ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016579
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.7365    5.9861    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6549    5.4721    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986    3.5427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    4.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2265    4.4928    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781    2.5381    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    2.2493    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    4.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5954    0.0000 I   0  3  0  0  0  0  0  0  0  0  0  0
    0.7021    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681    1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203    1.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757    2.6712    0.0000 C   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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 17  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016579-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.3112    0.9670   -0.7529 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    0.0088   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    0.6858    0.7103 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388   -0.5946    0.8413 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -1.0451   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0876   -1.2327   -2.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   -0.5476   -2.5655 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9584   -0.7614   -3.3893 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8487   -2.5540   -2.7172 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0585   -0.5267   -1.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394   -1.5298   -0.0929 I   0  3  0  0  0  0  0  0  0  0  0  0
    3.9662   -2.8633    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765   -4.0762    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353   -4.8692    1.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7030   -4.4311    0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1938   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590   -2.4047   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -4.4045    1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -5.8203    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234   -5.0477    0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537   -2.8756   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
$$$$