Molecule Editor

Molecule ID: FYI-1016578 Edit

Molecule Structure InChIKey: POIBBEZBQIDBGL-UHFFFAOYSA-N

Molecule Structure SMILES String: FC(F)(F)C2(C(F)(F)F)OS(F)(F)c1ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016578
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1467    4.4194    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    3.5943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0233    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9845    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506    1.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8632    0.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3577    2.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044    4.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202    4.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183    5.9843    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360    5.4705    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798    3.5416    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6818    3.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5078    4.4914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    2.5374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0267    2.2486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2219    4.6376    0.0000 O   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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016578-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2608   -1.0052   -0.1826 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -0.0428    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534    0.9092    0.7795 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0991   -0.5977    0.8660 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    0.5634   -1.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104   -0.0091   -2.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563   -0.9439   -2.3465 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489    0.9698   -3.2726 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492   -0.5839   -3.3132 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    2.0264   -1.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306    2.9162   -1.2047 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859    3.7921   -2.5062 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884    3.7812    0.1046 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519    1.6313   -1.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    1.7394   -1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1525    0.5516   -1.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4910   -0.6877   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925   -0.7574   -1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569    0.4247   -1.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253    2.7032   -1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2403    0.5800   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0755   -1.6062   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6085   -1.7312   -1.2120 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 19  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
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  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
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
$$$$