Molecule FYI-1002793

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Molecule Summary:

ID: FYI-1002793
Names:
InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002793 Edit

Molecule Structure InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002793
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 Cl  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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002793-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    2.2741   -2.3878   -0.0553 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0674   -1.9834   -0.1398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5265    0.8295    0.1571 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3261    2.1158    0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -0.1069    0.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340    1.9321   -0.9718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4997    1.0089    0.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    1.0861   -1.5009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774    0.0143    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765    0.7975    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    0.1924    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764   -1.3740   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5328   -1.1959   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3788   -1.9792   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097    1.0507    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    1.8807    0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584   -3.0621   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7843    2.0486   -1.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5890    0.5287   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4289    2.5065   -0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$

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2023-04-26, 388👍, 0💬