Molecule Editor

Molecule ID: FYI-1016786 Edit

Molecule Structure InChIKey: OSORMYZMWHVFOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCc1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016786
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016786-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
   -0.1750    1.1321   -0.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    2.4480    0.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745    1.6799   -1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798    0.4313   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8371    2.1428   -0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480    0.5476    0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570   -0.8095   -0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2964    0.2987    0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -0.6062    1.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.9634   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    1.3988    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920   -1.8616    0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682    0.5513    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -1.0092    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5713   -0.5041    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7306   -2.0645   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1025   -1.8119   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    1.4821   -2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8218    2.4826   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    3.0616   -0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838    2.3425    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767    1.5209    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988   -0.9005   -1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -0.5272    1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927   -2.9409   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -2.7601    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0503    1.5646    0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -1.2388    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6394   -0.3077    0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660   -3.0834   -0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8056   -2.6338   -0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$