Molecule FYI-1007196

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Molecule Summary:

ID: FYI-1007196
Names:
InChIKey: MAHAMBLNIDMREX-UHFFFAOYSA-N
SMILES: Cn2c(C(=O)O)cc1ccccc12

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007196 Edit

Molecule Structure InChIKey: MAHAMBLNIDMREX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn2c(C(=O)O)cc1ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007196
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.5308    0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8959    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  2  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  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007196-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -3.2452   -1.4915   -0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4249    0.7743   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4765    0.8741   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8544    0.5221   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -0.8733    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616   -0.2475    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320   -1.3451    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    1.3241   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718   -1.5013    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9741    2.2345    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412    0.6790   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3275   -0.7119    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925   -0.2375    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423   -2.3816    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548    2.4072   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536   -2.5845    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5725    2.3852   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734    2.3831    0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528    2.9517    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1519    1.2725   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031   -1.1908    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2255   -1.4550   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-02-18, 936👍, 0💬