Molecule FYI-1002295

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A

Molecule Summary:

ID: FYI-1002295
Names:
InChIKey: LGLGSEILIYMFIQ-UHFFFAOYSA-N
SMILES: COn3c1ccccc1c2cc(C=O)ccc23

Received at FYIcenter.com on: 2023-02-21

Molecule ID: FYI-1002295 Edit

Molecule Structure InChIKey: LGLGSEILIYMFIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COn3c1ccccc1c2cc(C=O)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002295
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.7489    4.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8120    5.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0101    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 17  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002295-3D
FYIcenter.com

 28 30  0     0  0  0  0  0  0999 V2000
    1.6463    2.4879    0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4573   -1.7397   -0.2015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    1.2292    0.2253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534   -0.3863    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492   -0.9787    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816    0.9914    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788    0.0540    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656   -0.8975   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3563    1.8859    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232   -2.3024   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605   -0.1688    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8505   -0.0155    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465    1.3554    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -2.5410   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054   -1.4885    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2055   -0.5381   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798    3.0526   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158   -1.9683   -0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    2.9542    0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311   -3.1341   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    0.6484    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4925    2.0378    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704   -3.5595   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6725   -1.6950    0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0252    0.1987   -0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    2.4347   -1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3305    4.0390   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    3.1779   -1.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

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2023-03-17, 542👍, 0💬