Molecule FYI-1002462

A

Molecule Summary:

ID: FYI-1002462
Names:
InChIKey: FRGUFEBRQGCESV-ZHACJKMWSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCCCCC(C)=O

Received at FYIcenter.com on: 2023-03-31

Molecule ID: FYI-1002462 Edit

Molecule Structure InChIKey: FRGUFEBRQGCESV-ZHACJKMWSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCCCCC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002462
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   37.5855    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
    9.6995    0.0000    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002462-3D
FYIcenter.com

 95 94  0  0  0  0  0  0  0  0999 V2000
    1.5653   -0.1758    1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809   -0.1681    1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6013    1.2616    1.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1211    1.2726    1.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6336    2.7031    1.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1528    2.7137    1.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6645    4.1454    1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1843    4.1577    1.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    5.5587    1.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4718    6.0501    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9832    7.4517    0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5031    7.4638    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0151    8.8950    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5337    8.9030    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0456   10.3314    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5629   10.3369    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0736   11.7649    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5904   11.7697    0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1009   13.1975    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6175   13.2025    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1276   14.6304    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6441   14.6353    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1538   16.0632    0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6699   16.0679    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1801   17.4954    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6961   17.4950    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2154   18.9178    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7373   18.9085    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2494   20.3361    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7731   20.3968    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2750   21.8344    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7703   22.0830    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4999   22.7783    0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916   -1.2027    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765    0.3498    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1773    0.3193    1.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523   -0.6854    0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531   -0.7158    1.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2271    1.7805    1.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2285    1.8100    0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4991    0.7579    0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4976    0.7283    1.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2566    3.2193    2.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2581    3.2489    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5291    2.1981    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    2.1661    2.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    4.6577    2.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2846    4.6891    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5568    3.6368    0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604    3.6183    2.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4231    6.1933    2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479    5.4189   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6111    7.9714    1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6086    7.9920   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8877    6.9530   -0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8826    6.9191    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6395    9.4101    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6420    9.4446   -0.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9117    8.3912   -0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9094    8.3542    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708   10.8439    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708   10.8819   -0.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9389    9.8262   -0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9390    9.7859    1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6981   12.2761    1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6981   12.3165   -0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9660   11.2587   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9660   11.2183    1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7253   13.7085    1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7253   13.7489   -0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9932   12.6917   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9932   12.6513    1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7520   15.1413    1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7520   15.1817   -0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0198   14.1257   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0199   14.0829    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7795   16.5723    1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7772   16.6161   -0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0447   15.5588   -0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0471   15.5151    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8065   18.0051    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8042   18.0489   -0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0691   16.9872   -0.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0715   16.9410    1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8420   19.4296    1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8396   19.4758   -0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1050   18.3998   -0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1074   18.3535    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8521   20.8269    1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8475   20.8741   -0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1532   19.9148   -0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1581   19.8648    1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3672   21.1664    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0361   22.6255    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0312   22.6759   -0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  2  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  1  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  1  0  0  0  0
 15 61  1  0  0  0  0
 15 62  1  0  0  0  0
 16 17  1  0  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 18  1  0  0  0  0
 17 65  1  0  0  0  0
 17 66  1  0  0  0  0
 18 19  1  0  0  0  0
 18 67  1  0  0  0  0
 18 68  1  0  0  0  0
 19 20  1  0  0  0  0
 19 69  1  0  0  0  0
 19 70  1  0  0  0  0
 20 21  1  0  0  0  0
 20 71  1  0  0  0  0
 20 72  1  0  0  0  0
 21 22  1  0  0  0  0
 21 73  1  0  0  0  0
 21 74  1  0  0  0  0
 22 23  1  0  0  0  0
 22 75  1  0  0  0  0
 22 76  1  0  0  0  0
 23 24  1  0  0  0  0
 23 77  1  0  0  0  0
 23 78  1  0  0  0  0
 24 25  1  0  0  0  0
 24 79  1  0  0  0  0
 24 80  1  0  0  0  0
 25 26  1  0  0  0  0
 25 81  1  0  0  0  0
 25 82  1  0  0  0  0
 26 27  1  0  0  0  0
 26 83  1  0  0  0  0
 26 84  1  0  0  0  0
 27 28  1  0  0  0  0
 27 85  1  0  0  0  0
 27 86  1  0  0  0  0
 28 29  1  0  0  0  0
 28 87  1  0  0  0  0
 28 88  1  0  0  0  0
 29 30  1  0  0  0  0
 29 89  1  0  0  0  0
 29 90  1  0  0  0  0
 30 31  1  0  0  0  0
 30 91  1  0  0  0  0
 30 92  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 93  1  0  0  0  0
 32 94  1  0  0  0  0
 32 95  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 435👍, 0💬