Molecule FYI-1009151

A

Molecule Summary:

ID: FYI-1009151
Names:
InChIKey: AGHANLSBXUWXTB-UHFFFAOYSA-N
SMILES: O=C(O)COc2ccc(C(=O)c1cccs1)c(Cl)c2Cl

Received at FYIcenter.com on: 2024-05-02

Molecule ID: FYI-1009151 Edit

Molecule Structure InChIKey: AGHANLSBXUWXTB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)COc2ccc(C(=O)c1cccs1)c(Cl)c2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1009151
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.7871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    1.3314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009151-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
    1.1718   -2.1234   -1.6241 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139   -1.9104   -1.6876 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9958    0.1952    0.2104 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188   -0.3284    0.5573 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9727   -1.6205    1.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5379    2.1911   -0.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5421   -0.0513   -0.6555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235   -0.6194    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596   -0.4381    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068   -1.2418   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    0.0935    1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784   -0.6808    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -1.1512   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430    0.1842    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204    0.3486    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9043    1.4185   -0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    0.9875    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202    2.1767   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2186    1.6232   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.9466   -0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939    0.5815    2.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537    0.7356    2.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    1.6823   -0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7986    1.3737    1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0042    1.6471   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478    3.0820   -1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2142    1.9893   -0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4136    2.1932   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5 12  2  0  0  0  0
  6 20  1  0  0  0  0
  6 28  1  0  0  0  0
  7 20  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
$$$$

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