Molecule Editor

Molecule ID: FYI-1004686 Edit

Molecule Structure InChIKey: ZMXIYERNXPIYFR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1cccc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004686
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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
 12  3  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004686-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
   -1.3043   -0.0678    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818   -0.2587    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188    0.8627   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -1.2102    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8569    1.2103    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.5379    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453    2.1419   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.6719   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339    2.3131   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7569   -1.8100   -0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -1.7091    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576   -0.6063   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -1.9844    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1123   -0.8525    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293    1.3630    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650   -2.4371    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695    3.0181   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    1.5193   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4647    3.3079   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769   -1.0606   -1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4601   -2.6226   -0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9373   -2.2176   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -2.7039    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9311   -0.7403   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$