Molecule FYI-1007765

A

Molecule Summary:

ID: FYI-1007765
Names:
InChIKey: MNYGCYRGISFCCE-UHFFFAOYSA-N
SMILES: O=C4CCCOC(=O)c1ccc(cc1)C(=O)CCCOC(=O)c2ccc(cc2)C(=O)CCCOC(=O)c3ccc(cc3)C(=O)CCCOC(=O)c5ccc4cc5

Received at FYIcenter.com on: 2024-03-15

Molecule ID: FYI-1007765 Edit

Molecule Structure InChIKey: MNYGCYRGISFCCE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCCOC(=O)c1ccc(cc1)C(=O)CCCOC(=O)c2ccc(cc2)C(=O)CCCOC(=O)c3ccc(cc3)C(=O)CCCOC(=O)c5ccc4cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007765
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
   17.1896   13.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0787   12.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2947   11.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2028   10.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2399    9.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3689    8.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3705    6.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2243    7.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8213    5.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0977    4.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2171    3.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2015    2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0759    2.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6008    1.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678    1.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6071    1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3248    1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651    0.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    2.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6030    3.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701    4.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863    5.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2712    6.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1008    5.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397    7.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025    8.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654   10.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294   11.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903   12.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   13.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6395   13.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3633   14.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   15.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593   16.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850   17.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8600   18.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931   17.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537   17.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360   17.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4083   17.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6393   17.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0957   18.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7986   16.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8578   16.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7908   15.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5745   14.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0908   19.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8084   19.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371    8.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6524    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4608    9.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4237   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  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
  9  7  1  0  0  0  0
 10  9  1  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  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  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  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  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
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 43  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48  1  1  0  0  0  0
 49 42  1  0  0  0  0
 50 49  2  0  0  0  0
 50 39  1  0  0  0  0
 51 30  1  0  0  0  0
 52 51  2  0  0  0  0
 52 27  1  0  0  0  0
 53 18  1  0  0  0  0
 54 53  2  0  0  0  0
 54 15  1  0  0  0  0
 55  6  1  0  0  0  0
 56 55  2  0  0  0  0
 56  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007765-3D
FYIcenter.com

 96100  0  0  0  0  0  0  0  0999 V2000
    8.4152   -7.1650    9.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2836   -6.1914   10.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7154   -6.6678   11.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4431   -7.8474   13.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439   -8.4816   14.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9048   -8.7649   15.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1142   -9.4143   16.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9564   -8.8331   16.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4685  -10.9724   15.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5237  -11.2037   14.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2112  -11.1850   13.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8600  -11.0530   13.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9091  -11.4600   14.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3249  -11.6511   15.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5020  -10.3514   11.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3815  -11.0586   10.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2083   -8.8309   11.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7564   -7.9292   13.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543   -6.4821   13.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8661   -6.0258   14.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0869   -5.0200   15.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0260   -4.8902   16.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0638   -4.1899   14.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0539   -3.4126   15.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747   -2.8355   14.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8746   -3.0342   13.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9686   -3.5652   12.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0586   -4.1193   13.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6702   -2.6140   12.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454   -1.4128   12.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727   -3.6385   11.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480   -5.1126   12.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242   -6.0899   11.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -7.5019   11.3087 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527   -8.4412   10.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -9.5676   10.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8176   -8.1779    9.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4299   -9.2444    8.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -9.0635    7.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160   -7.7961    7.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -6.7706    7.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812   -6.9528    9.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872   -7.4798    5.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118   -8.1653    5.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564   -6.2948    4.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -5.7247    5.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104   -4.7361    4.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793   -4.8844    4.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2399   -3.9547    4.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1453   -3.6704    4.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4407   -3.7469    6.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694   -3.2378    6.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106   -3.7254    8.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496   -4.8595    9.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1987   -5.0388    8.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291   -4.3546    7.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -7.3345   11.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4077   -5.8581   12.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5966   -8.5470   13.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1377   -7.0319   13.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344   -7.7615   15.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8636   -9.4308   15.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5205  -11.5235   15.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9609  -11.2402   12.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525  -11.4943   13.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6559  -11.9163   16.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1144   -8.8024   11.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5520   -8.4356   10.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8443   -7.9208   13.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5056   -8.5262   13.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2457   -6.4317   12.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8717   -5.7643   12.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0656   -3.2905   16.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2237   -2.2283   14.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9737   -3.6703   11.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8466   -4.5599   12.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8047   -3.5599   10.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618   -3.2662   11.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5027   -5.2269   13.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7666   -5.3984   12.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789   -5.8009   10.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663   -5.9467   11.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393  -10.2452    8.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2704   -9.9037    6.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153   -5.7916    7.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3670   -6.0475    9.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9999   -5.5056    5.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557   -6.6648    3.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -6.5438    5.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176   -5.1642    6.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -3.6993    4.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269   -5.0035    3.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9723   -2.2882    6.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755   -2.8072    8.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5035   -5.8255    8.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5641   -4.4133    6.9898 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 54  1  0  0  0  0
  3  4  1  0  0  0  0
  3 57  1  0  0  0  0
  3 58  1  0  0  0  0
  4  5  1  0  0  0  0
  4 59  1  0  0  0  0
  4 60  1  0  0  0  0
  5  6  1  0  0  0  0
  5 61  1  0  0  0  0
  5 62  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 65  1  0  0  0  0
 14 66  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 67  1  0  0  0  0
 17 68  1  0  0  0  0
 18 19  1  0  0  0  0
 18 69  1  0  0  0  0
 18 70  1  0  0  0  0
 19 20  1  0  0  0  0
 19 71  1  0  0  0  0
 19 72  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 73  1  0  0  0  0
 25 26  1  0  0  0  0
 25 74  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 77  1  0  0  0  0
 31 78  1  0  0  0  0
 32 33  1  0  0  0  0
 32 79  1  0  0  0  0
 32 80  1  0  0  0  0
 33 34  1  0  0  0  0
 33 81  1  0  0  0  0
 33 82  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 42  2  0  0  0  0
 38 39  2  0  0  0  0
 38 83  1  0  0  0  0
 39 40  1  0  0  0  0
 39 84  1  0  0  0  0
 40 41  2  0  0  0  0
 40 43  1  0  0  0  0
 41 42  1  0  0  0  0
 41 85  1  0  0  0  0
 42 86  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 87  1  0  0  0  0
 45 88  1  0  0  0  0
 46 47  1  0  0  0  0
 46 89  1  0  0  0  0
 46 90  1  0  0  0  0
 47 48  1  0  0  0  0
 47 91  1  0  0  0  0
 47 92  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 56  2  0  0  0  0
 52 53  2  0  0  0  0
 52 93  1  0  0  0  0
 53 54  1  0  0  0  0
 53 94  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 55 95  1  0  0  0  0
 56 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 161👍, 0💬