Molecule FYI-1007177

A

Molecule Summary:

ID: FYI-1007177
Names:
InChIKey: GESDOHLQTSPZBD-MDZDMXLPSA-N
SMILES: O=C(O)c1ccccc1/C=C/c3cc(O)c2ccccc2n3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007177 Edit

Molecule Structure InChIKey: GESDOHLQTSPZBD-MDZDMXLPSA-N

Molecule Structure SMILES String: O=C(O)c1ccccc1/C=C/c3cc(O)c2ccccc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007177
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007177-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.5257   -2.2957   -0.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -1.2203   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0071   -0.6024   -0.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -0.5763    1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906   -1.4649    2.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874   -0.9880    3.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452    0.3817    3.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881    1.2734    2.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998    0.8129    1.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065    1.8427    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7096    2.3035   -0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1587    3.3076   -1.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    3.7130   -2.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622    4.5503   -3.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809    4.9761   -4.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2027    4.9653   -3.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8281    5.7398   -4.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1595    6.1308   -4.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8670    5.7786   -3.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    5.0032   -2.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    4.5614   -2.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4299    3.7544   -1.4439 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    0.2130   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8952   -2.5405    2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -1.6870    4.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    0.7590    4.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    2.3414    2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    2.2466    0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7023    1.9175   -0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057    3.3617   -2.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556    4.7359   -4.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    6.0228   -5.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    6.7075   -5.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9002    6.0924   -3.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    4.7259   -1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 23  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 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1142👍, 0💬