Molecule FYI-1007298

A

Molecule Summary:

ID: FYI-1007298
Names:
InChIKey: FFEAHADVDGYRNW-UHFFFAOYSA-N
SMILES: O=C(O)c1cc2cc4cccc3cc5ccc6cc8cccc9cc1c7c2c(c34)c5c6c7c89

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007298 Edit

Molecule Structure InChIKey: FFEAHADVDGYRNW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1cc2cc4cccc3cc5ccc6cc8cccc9cc1c7c2c(c34)c5c6c7c89

Download SDF Download SVG Structure in 2D SDF:

FYI-1007298
FYIcenter.com

 33 41  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    9.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6 17  1  0  0  0  0
  1 14  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 12 23  1  0  0  0  0
 11 20  1  0  0  0  0
 24 25  2  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 19 28  1  0  0  0  0
 25 26  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 16 32  1  0  0  0  0
 15 29  1  0  0  0  0
 29 33  1  0  0  0  0
 28 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007298-3D
FYIcenter.com

 47 55  0  0  0  0  0  0  0  0999 V2000
    1.1117   -0.6960    0.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1115   -0.0800   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4101    1.1403    0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267   -0.5762   -1.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733   -1.2018   -2.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -1.8011   -3.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   -2.4617   -4.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1322   -3.1039   -5.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4678   -3.7945   -6.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -4.4366   -7.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5770   -4.3967   -7.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2684   -3.7304   -6.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.7304   -6.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3546   -3.1226   -5.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7480   -3.2082   -5.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4255   -2.6124   -4.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287   -1.8923   -3.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4121   -1.2545   -2.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7203   -0.5704   -1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4103    0.0664   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7141    0.6988    1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3199    0.6922    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6023    0.0757   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1975    0.0437   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4471   -0.5264   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1776   -1.1338   -2.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4992   -1.7702   -3.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2231   -2.4167   -4.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -3.0745   -5.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6318   -2.4438   -4.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.8197   -3.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5954   -1.1553   -2.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053   -0.5418   -1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2831   -1.2449   -2.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367   -2.4963   -4.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3813   -3.8472   -6.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616   -4.9785   -8.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216   -4.9123   -8.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2288   -4.2366   -7.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3182   -3.7598   -5.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056   -2.7288   -4.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4992   -1.3023   -2.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4981    0.0662    0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588    1.1845    1.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982    1.1762    1.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927    0.4540    0.8462 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 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 39  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
$$$$

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2024-03-17, 198👍, 0💬