Molecule FYI-1001466

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A

Molecule Summary:

ID: FYI-1001466
SMILES: C12(Cl)C3(Cl)C(=O)C4(Cl)C1(Cl)C5(Cl)C(Cl)(Cl)C2(Cl)C3(Cl)C45Cl

Received at FYIcenter.com on: 2022-08-01

Molecule ID: FYI-1001466 Edit

Molecule Structure SMILES String: C12(Cl)C3(Cl)C(=O)C4(Cl)C1(Cl)C5(Cl)C(Cl)(Cl)C2(Cl)C3(Cl)C45Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001466
FYIcenter.com

 21 25  0  0  0  0  0  0  0  0999 V2000
    2.5874    2.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    1.7695    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5227    3.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961    4.0636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    2.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6778    2.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0081    0.3463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653    0.0227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    1.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0597    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622    2.7372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    4.0615    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8217    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748    5.1549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    3.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8324    4.0608    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 20  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001466-3D
FYIcenter.com

 21 25  0  0  1  0  0  0  0  0999 V2000
   -0.8501   -0.9872   -0.6646 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8567   -2.3137   -1.2519 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1927    0.4927   -1.0421 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0510    0.7763   -2.5820 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349    1.1778    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8438    1.8463    0.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196    0.7005    1.1445 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1238    1.2995    2.8004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6030   -0.8391    0.9335 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3934   -1.9834    2.0236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -0.6216    0.9670 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7560   -0.9002    2.5444 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5763   -1.3315   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001   -3.0949   -0.0537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2339   -0.7982   -0.4985 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5904   -0.7880   -1.2147 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9134   -1.3143   -2.9076 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3580    0.7467   -0.9965 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0688    1.9507   -2.0804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    0.8757    0.5824 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6738    2.1742    1.1533 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1841👍, 0💬