Molecule FYI-1005880

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A

Molecule Summary:

ID: FYI-1005880
Names:
InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-M
SMILES: O=C([O-])Cc1c[nH]c2ccccc12

Received at FYIcenter.com on: 2023-11-18

Molecule ID: FYI-1005880 Edit

Molecule Structure InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C([O-])Cc1c[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005880
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.8531    4.7552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6407    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6629    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  2  1  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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  5  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005880-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
   -3.1373   -0.4826   -0.9682 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0086    1.7026   -0.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176   -2.0611   -0.1166 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    0.1149    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -0.5631    0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.8477   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -1.8993    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9454    0.0466    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9580    1.4594    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -0.5319   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2769    1.7901    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768    0.8081   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7779    0.4639   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452   -2.7503    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5298   -0.6664    1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520    0.9102    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   -2.9434   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693    2.2375    0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908   -1.2956   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013    2.8254    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964    1.0872   -0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  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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2023-11-25, 427👍, 0💬