Molecule FYI-1001260

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A

Molecule Summary:

ID: FYI-1001260
SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

Received at FYIcenter.com on: 2022-04-17

Molecule ID: FYI-1001260 Edit

Molecule Structure SMILES String: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001260
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   12.1243    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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 22  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001260-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
   11.0775   -1.8478   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3620   -1.2808    0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5820   -2.3803    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8284   -1.9112    2.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7395   -0.8404    2.0300 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6524   -1.2132    1.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520   -2.3843    1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0852   -0.4505    3.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103    0.0629    4.3342 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    1.3499    4.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2699    1.9791    3.1092 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9474    1.8714    5.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3339    1.4204    6.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443    1.7603    7.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9806    2.5547    7.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5584    3.0594    6.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0258    2.7559    5.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6674    3.4725    4.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8653    3.6976    4.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7120    4.0595    3.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0882    5.2590    2.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2135    5.1024    1.3773 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9315    4.5400    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6899    5.4108    0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6217    6.4423    0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9673    6.9782    1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3569    8.2980    0.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6817    8.8004    1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6548   -1.0705   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3576   -2.2575   -1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7643   -2.6513   -0.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6944   -0.4772   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1001   -0.8368    0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2926   -3.1569    1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879   -2.8654    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5679   -1.5249    2.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3831   -2.7920    2.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2507    0.0432    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1195   -1.4168    0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0098   -0.3363    0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3083   -3.2151    1.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2429   -2.7584    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756   -2.0731    2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6206   -1.3272    3.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    0.2852    3.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4459    0.7907    6.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3635    1.3901    8.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    2.7932    8.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4293    3.7103    6.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0106    5.6557    3.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3154    5.9959    3.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0054    4.3667    1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7228    3.5484    1.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1082    4.3854   -0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5701    5.7791    1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7925    4.8351    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7249    6.2733    0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8484    7.1993    0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792    6.3024   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7464    6.2285    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9271    7.1533    2.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817    9.0516    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4412    8.1674   -0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6114    8.9738    2.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667    9.7421    0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4796    8.0715    0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  2  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  2  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 1169👍, 0💬