Molecule FYI-1001154

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A

Molecule Summary:

ID: FYI-1001154
SMILES: O=N(=O)c1ccccc1

Received at FYIcenter.com on: 2022-02-08

Molecule ID: FYI-1001154 Edit

Molecule Structure SMILES String: O=N(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001154
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001154-3D
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.1208    0.6565    0.2336 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183   -0.0206   -0.0545 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.9880    0.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8720    0.3500   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    1.4365   -2.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771    1.7927   -3.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171    1.0692   -3.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7327   -0.0164   -2.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124   -0.3822   -1.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5629    2.0109   -1.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8583    2.6366   -3.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    1.3530   -4.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210   -0.5768   -3.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501   -1.2300   -1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2022-04-13, 2092👍, 0💬