Molecule FYI-1003628

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A

Molecule Summary:

ID: FYI-1003628
Names:
InChIKey: UWCPYKQBIPYOLX-UHFFFAOYSA-N
SMILES: O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1

Received at FYIcenter.com on: 2023-07-13

Molecule ID: FYI-1003628 Edit

Molecule Structure InChIKey: UWCPYKQBIPYOLX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003628
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003628-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -1.8931    3.5949   -0.0027 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674   -3.4368   -0.0037 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0599   -0.1581   -0.0023 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7325    3.5487   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4394   -1.1395    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070   -2.4088    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1427    1.3875    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302   -0.8176    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -0.5702    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    0.5699    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    0.8174    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -1.3876    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918    2.8342    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086   -1.6697    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -1.1643    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2717    0.9939    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    1.4706    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2752   -2.4646    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2023-07-29, 509👍, 0💬