Molecule FYI-1014363

Home > Molecule

A

Molecule Summary:

ID: FYI-1014363
Names:
InChIKey: LBMUIOIICAZTHC-XYOKQWHBSA-N
SMILES: O=C(O)/C(Cc1ccc(Cl)c(Cl)c1)=N/O

Received at FYIcenter.com on: 2025-04-07

Molecule ID: FYI-1014363 Edit

Molecule Structure InChIKey: LBMUIOIICAZTHC-XYOKQWHBSA-N

Molecule Structure SMILES String: O=C(O)/C(Cc1ccc(Cl)c(Cl)c1)=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014363
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    2.4249    2.8000    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    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014363-3D
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.8199   -2.7103    0.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -1.5844    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586   -0.8358    1.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -0.8423   -0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623   -1.5878   -1.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697   -1.3988   -1.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010   -2.3183   -1.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -2.1223   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977   -1.0022   -1.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -0.8113   -1.2499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395   -0.0812   -2.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0324    1.3276   -2.9540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0359   -0.2825   -2.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    0.3748   -0.9901 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216    0.9630   -2.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372    0.0341    0.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106   -2.6551   -1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -1.2707   -2.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3618   -3.1955   -0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0575   -2.8475   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190    0.4389   -2.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    1.8610   -2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 697👍, 0💬