Molecule Editor

Molecule ID: FYI-1016574 Edit

Molecule Structure InChIKey: KTXUEZTVEYTHNB-UHFFFAOYSA-N

Molecule Structure SMILES String: FI3c1ccccc1c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016574
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.8546    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1920    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4920    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2303    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.6629    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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 14  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016574-3D
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7823    1.3101   -0.0387 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -0.1049   -0.0437 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890   -1.3827   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7979   -2.7753   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687   -3.5402   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196   -2.9096   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3062   -1.5109   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299   -0.7409   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0803    0.7370   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2056    1.5800   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.9697   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7441    3.5205   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.6842   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7986    1.2974   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -3.2591   -0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073   -4.6208   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227   -3.5061   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2835   -1.0504   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2100    1.1820   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8960    3.6214   -0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6164    4.5951   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305    3.1132   -0.0383 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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$