Molecule FYI-1002067

A

Molecule Summary:

ID: FYI-1002067
Names:
InChIKey: CYVDGZYJHHYIIU-FBCYGCLPSA-N
SMILES: C/C(=N\\Nc1c(Cl)cc(Cl)cc1Cl)c2cc(Cl)ccc2O

Received at FYIcenter.com on: 2023-01-24

Molecule ID: FYI-1002067 Edit

Molecule Structure InChIKey: CYVDGZYJHHYIIU-FBCYGCLPSA-N

Molecule Structure SMILES String: C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c2cc(Cl)ccc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002067
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   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
    2.4249    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002067-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
    2.9632   -2.8422    0.2965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3421    2.1864   -1.0769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794    3.2084   -0.0182 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2139    1.3753    1.0496 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280   -2.4875    0.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293   -0.7991   -0.7896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -0.3428   -0.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130   -0.3269   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624   -0.8451   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4046   -1.1639    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -0.2831   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8146    1.0249   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146   -1.9602   -1.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5978   -0.6488    1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2306   -1.1395    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127    1.0861   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0077    1.5400    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8993    0.7032    0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -0.6267    0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351    1.5988   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    0.7425    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217    1.6778   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447   -1.6621   -2.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936   -2.8777   -1.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3449   -2.1543   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0582   -1.7616   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3017   -1.2892    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8326    1.0909    1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112   -1.2927    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    2.6664   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8603   -2.9051    1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-25, 2045👍, 0💬