Molecule FYI-1005676

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A

Molecule Summary:

ID: FYI-1005676
Names:
InChIKey: BLLYRSWRNGRWLB-UHFFFAOYSA-L
SMILES: Cc1cc(O[TS])cc(O[TS])c1Br

Received at FYIcenter.com on: 2023-11-10

Molecule ID: FYI-1005676 Edit

Molecule Structure InChIKey: BLLYRSWRNGRWLB-UHFFFAOYSA-L

Molecule Structure SMILES String: Cc1cc(O[TS])cc(O[TS])c1Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1005676
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 TS  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 TS  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
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005676-3D
FYIcenter.com

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