Molecule Editor

Molecule ID: FYI-1011478 Edit

Molecule Structure InChIKey: MZMRZONIDDFOGF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC[N+](C)(C)C.Cc1ccc(S(=O)(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1011478
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
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    6.0200    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0200    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    9.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200   10.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   12.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   13.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   14.5241    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  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
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 17 16  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  2  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011478-3D
FYIcenter.com

 81 80  0  0  0  0  0  0  0  0999 V2000
    0.7217   -4.9911    1.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$