Molecule Editor

Molecule ID: FYI-1000450 Edit

Molecule Structure SMILES String: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000450
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 C   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
    0.0000    1.4920    0.0000 O   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
 14  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000450-3D
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.4544    0.0783   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0262    1.3958    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644    1.7077    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452    0.6865    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1816   -0.6378   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -0.9540   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102   -1.5625   -0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1756   -0.6028   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.8819   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269    0.1754   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    1.4796    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930    1.7539    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028    0.7080    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120   -2.5211    0.6897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5189   -0.1380   -0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653    2.1837    0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3461    2.7287    0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8548   -1.9739   -0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118   -2.0503   -1.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855   -1.8904   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4969   -0.0102   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    2.2873    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462    2.7645    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2222   -2.0331    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$