Molecule FYI-1004793

A

Molecule Summary:

ID: FYI-1004793
Names:
InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N
SMILES: CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c5cccc(/C=C/c4ccc3ccc(Cl)cc3n4)c5

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004793 Edit

Molecule Structure InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

Molecule Structure SMILES String: CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c5cccc(/C=C/c4ccc3ccc(Cl)cc3n4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004793
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
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   12.1244    6.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7244    5.4322    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
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 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004793-3D
FYIcenter.com

 77 81  0     1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-10-12, 894👍, 0💬