Molecule FYI-1016477

A

Molecule Summary:

ID: FYI-1016477
Names:
InChIKey: SBLGVIWNQJLMIK-UHFFFAOYSA-Q
SMILES: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)ccc(Br)c2O)cc3)c(F)cc4[c+]5=O

Received at FYIcenter.com on: 2026-01-11

Molecule ID: FYI-1016477 Edit

Molecule Structure InChIKey: SBLGVIWNQJLMIK-UHFFFAOYSA-Q

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016477
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 25 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016477-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    9.5372   -6.2983    0.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0195   -6.7848   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4471   -7.9039   -0.6986 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8838   -6.1154   -0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4316   -4.9278   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4216   -4.0854   -0.9100 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8350   -3.0513   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999   -3.1087   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4229   -3.7691   -3.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828   -4.6311   -4.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4945   -4.1753   -6.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0777   -4.5647   -7.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -5.6645   -7.9399 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1898   -5.9479   -9.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2025   -5.3296   -9.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461   -6.7884  -10.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1757   -6.6584  -10.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169   -5.8151   -9.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781   -7.3443  -11.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
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 34 35  2  0  0  0  0
M  END
$$$$

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2026-02-02, 184👍, 0💬