Molecule Editor

Molecule ID: FYI-1016577 Edit

Molecule Structure InChIKey: LNDNIPRSMTXQGV-UHFFFAOYSA-N

Molecule Structure SMILES String: FS2(F)Oc1ccccc1O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016577
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.8229    4.5368    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.2579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9391    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    3.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4042    0.0000 F   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  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
  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
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016577-3D
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1517    0.1714    0.1576 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    0.0201    0.0753 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569    0.1798   -1.3915 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512    1.0614    1.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1178    0.2968    2.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    0.7923    3.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740   -0.1325    3.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3257   -1.5180    3.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660   -2.0057    2.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709   -1.0833    1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1905   -1.3953    0.7177 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758    1.8592    3.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0698    0.2207    4.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8086   -2.2171    4.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4470   -3.0703    2.4687 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 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$