Molecule Editor

Molecule ID: FYI-1016476 Edit

Molecule Structure InChIKey: RIRIEMAUGKBIOX-UHFFFAOYSA-Q

Molecule Structure SMILES String: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)c2O)cc3)c(F)cc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016476
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6368    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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
    3.6373    3.5000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 O   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
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  9 10  2  0  0  0  0
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  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
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 22 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 26 31  1  0  0  0  0
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 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 30 35  1  0  0  0  0
 25 36  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016476-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    9.8660   -5.4033    2.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3995   -6.2377    1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8828   -7.4718    1.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418   -5.9011    1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039   -4.6579    1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6424   -4.1417    0.2775 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0346   -2.8885    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5055   -2.9665    0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569   -1.9797   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2064   -4.9490   -0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5782   -4.7025   -2.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0538   -5.8452   -2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4534   -5.8755   -4.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591   -6.5631   -5.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5457   -7.8287   -6.0198 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.0015   -8.4427   -7.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3436   -9.5691   -7.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519   -9.5782   -8.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -8.5639   -7.5539 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246  -10.5745   -8.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373  -10.6379   -9.0024 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  2  0  0  0  0
M  END
$$$$