Molecule Editor

Molecule ID: FYI-1005096 Edit

Molecule Structure InChIKey: AOGDQSSRUAWFND-VRTOBVRTSA-M

Molecule Structure SMILES String: CCCCCC/C=C/Cc2ccc(C)[n+](Cc1ccccc1)c2.[Cl-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1005096
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.2430    6.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3880    5.0361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6312    6.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587    7.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    8.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173    9.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605   10.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760   11.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9191   12.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347   12.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4778   14.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933   14.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8294    3.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4604    4.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    2.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0466    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1960    7.6404    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  1  1  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005096-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
    6.8997   -2.9275    3.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932   -2.0814    2.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -2.6946    1.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6318   -1.8787    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894   -2.5400   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264   -1.7531   -2.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4465   -2.3900   -3.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469   -1.7624   -4.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9134   -2.3402   -5.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4202   -2.4280   -5.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1804   -2.7984   -5.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   -3.0054   -5.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4229   -3.5262   -4.7889 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.9988   -4.6541   -4.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END
$$$$