Molecule FYI-1003676

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A

Molecule Summary:

ID: FYI-1003676
Names:
InChIKey: GSGWXFFDHHQUFF-ZZXKWVIFSA-N
SMILES: CCOC(=O)/C=N/Cl

Received at FYIcenter.com on: 2023-07-17

Molecule ID: FYI-1003676 Edit

Molecule Structure InChIKey: GSGWXFFDHHQUFF-ZZXKWVIFSA-N

Molecule Structure SMILES String: CCOC(=O)/C=N/Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003676
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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
    1.2124    0.7000    0.0000 N   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  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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003676-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
    3.5612   -0.9025   -0.0137 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811   -0.4079   -0.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0799    1.6900   -0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615    0.2106    0.2977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842    0.1676    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136   -0.9422    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0678    0.4773   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038   -0.2931   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397    0.7413    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751    0.8347   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243   -0.5364    0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584   -1.5357   -0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2252   -1.6275    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -1.2384   -0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2108👍, 0💬