Molecule Editor

Molecule ID: FYI-1009091 Edit

Molecule Structure InChIKey: LEPQOCPPYIYDFL-UHFFFAOYSA-N

Molecule Structure SMILES String: C[n+]2cc(C(=O)NCC[N+](C)(C)Cc1cc(S(N)(=O)=O)cs1)ccc2/C=N/O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1009091
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
   12.1197    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7197    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6197    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5197    8.4871    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3072    7.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8197    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5968   10.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3197   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197   12.1243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3197   13.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197   10.9119    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2197   12.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9197    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6197    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.0197    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2197    2.4249    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.9197    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009091-3D
FYIcenter.com

 69 68  0  0  0  0  0  0  0  0999 V2000
    0.2986   -2.0731    1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5310    5.0651   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140    6.1057   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811    7.3703   -1.1910 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9687    8.0535    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131    6.9831   -1.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565    8.2836   -2.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373    9.5905   -2.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348    9.8610   -3.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   11.2393   -3.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218   11.9151   -4.5013 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8016   12.5366   -3.5047 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694   10.7768   -5.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   13.0095   -5.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6712   11.9812   -2.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295   11.0208   -1.7380 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$