Molecule FYI-1016197

A

Molecule Summary:

ID: FYI-1016197
Names:
InChIKey: RMSYQFMJHXZAPA-UHFFFAOYSA-N
SMILES: NC(Cc1ccc(Cl)c(Cl)c1)(P(=O)(O)O)P(=O)(O)O

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016197 Edit

Molecule Structure InChIKey: RMSYQFMJHXZAPA-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(Cc1ccc(Cl)c(Cl)c1)(P(=O)(O)O)P(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016197
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6323    3.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    7.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    9.0875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    7.6894    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    1.3981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    1.3340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235    1.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    2.0971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3314    3.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    1.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9671    0.8470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016197-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
   -3.7339   -2.1595   -0.2841 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8922    0.8007   -0.8905 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7017   -1.6810   -0.2234 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096    1.4920   -0.3493 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1415   -1.8646   -0.9351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113   -1.4112   -1.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760    1.2611   -0.9902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354    1.3449   -1.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892   -2.8116    0.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612    2.7772    0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.1849    1.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.0317    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689    0.0841    1.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7995    0.2466    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -0.8784    0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    1.5224    0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314   -0.7276    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653    1.6733    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3313    0.5482   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7369    0.9391    2.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.7861    2.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -0.9749    1.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2051    0.6297    1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842   -1.8725    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192    2.4087    0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306   -2.6985   -1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -2.1631   -2.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    1.9766   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0987    2.0750   -2.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398    2.6751   -0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  4 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

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