Molecule FYI-1009982

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A

Molecule Summary:

ID: FYI-1009982
Names:
InChIKey: CEDZMDSZTVUPSP-UHFFFAOYSA-N
SMILES: Clc2ccc1c(Cl)cccc1c2

Received at FYIcenter.com on: 2024-05-23

Molecule ID: FYI-1009982 Edit

Molecule Structure InChIKey: CEDZMDSZTVUPSP-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc2ccc1c(Cl)cccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009982
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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 Cl  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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  6  2  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009982-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    2.5259    2.2384   -0.0006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0663   -0.2453    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.4613    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0996   -0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    1.5417    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4893   -1.0619   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975    0.6633    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978   -1.9402   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675    1.3223    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3663    0.0230   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6745   -0.4217    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757   -1.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523    2.5746    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8876   -2.0755   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304   -2.9644   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399    2.1766    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515   -0.2727    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589   -2.5654   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  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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2024-06-03, 1579👍, 0💬