Molecule Editor

Molecule ID: FYI-1003874 Edit

Molecule Structure InChIKey: WDSOLIGXMKFAGU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003874
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
    1.0580    4.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    5.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8509    6.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    3.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    8.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156    6.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5919    6.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0138    7.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2594    6.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4357    7.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6813    6.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8576    7.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1032    6.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2795    7.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5251    6.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7014    7.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9470    6.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1233    7.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3689    7.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5452    7.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444    0.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    2.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7111    2.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1106    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8416    1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2411    1.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9097    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3092    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0402    1.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4397    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1083    2.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5078    2.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2388    1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003874-3D
FYIcenter.com

114113  0  0  0  0  0  0  0  0999 V2000
   35.0647   20.6452   -6.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0164   19.8513   -7.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7849   19.6288   -6.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7317   18.8301   -7.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5083   18.6127   -6.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4604   17.8172   -6.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2364   17.6013   -6.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1878   16.8063   -6.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9655   16.5917   -5.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9171   15.7950   -6.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6926   15.5811   -5.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6420   14.7875   -6.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4116   14.5700   -5.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3611   13.7748   -6.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1281   13.5438   -5.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.7480   -6.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5551   11.3753   -6.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9704   10.5653   -5.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5429   11.1886   -8.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0606    9.9224   -8.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5945    9.8927   -8.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9776    8.5701   -8.9616 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1447   10.9727   -9.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5821   10.9604   -9.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1285   10.0191  -10.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5038    9.2738  -11.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6365   10.0391  -10.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1677    9.8184   -8.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7267    8.4718   -8.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2672    8.2880   -6.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8123    6.9533   -6.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3507    6.7718   -4.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8961    5.4365   -4.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4364    5.2558   -2.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9821    3.9203   -2.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5196    3.7395   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0662    2.4066   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6055    2.2249    1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1502    0.8900    1.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6912    0.7045    2.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2400   -0.6343    3.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7797   -0.8171    4.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9464   20.8031   -7.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3771   20.1141   -5.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6729   21.6235   -6.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4365   18.8866   -7.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.7353   20.3895   -8.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3651   20.5940   -6.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0669   19.0927   -5.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1455   17.8613   -7.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4435   19.3631   -8.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0911   19.5800   -5.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.7931   18.0783   -5.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8729   16.8470   -7.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1722   18.3487   -7.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8214   18.5695   -5.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5211   17.0666   -5.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6025   15.8379   -7.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9028   17.3407   -7.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5508   17.5605   -5.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2512   16.0587   -5.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3336   14.8267   -7.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6346   16.3284   -7.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2797   16.5505   -5.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9774   15.0474   -4.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0583   13.8187   -6.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3611   15.3215   -7.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9997   15.5390   -5.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6967   14.0331   -4.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7968   12.8184   -6.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0770   14.3107   -7.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7070   14.5012   -5.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4184   13.0128   -4.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7236   13.2848   -7.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1720   12.6213   -5.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6493    9.7113   -9.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6879    9.1124   -7.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0211   10.0591   -7.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8829    8.4946   -9.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8444   11.9699   -9.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7624   10.8554  -10.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9864   11.0030  -10.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0206    9.2621  -10.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8323   10.6258   -8.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2639    9.8615   -8.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0809    7.6587   -8.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6352    8.4108   -8.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9122    9.1032   -6.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3628    8.3345   -6.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1639    6.1348   -6.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7162    6.9059   -6.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9977    7.5878   -4.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4469    6.8187   -4.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2502    4.6208   -4.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8017    5.3905   -4.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0839    6.0717   -2.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5326    5.3026   -2.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3357    3.1053   -3.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8866    3.8743   -2.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1705    4.5570   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6168    3.7868   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4183    1.5908   -1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9703    2.3621   -0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2537    3.0426    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7015    2.2715    1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5006    0.0745    0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0539    0.8460    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3388    1.5224    3.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7860    0.7531    2.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5933   -1.4521    2.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1455   -0.6827    3.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8740   -0.7948    4.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4544   -1.7781    5.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4201   -0.0221    5.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5  6  1  0  0  0  0
  5 52  1  0  0  0  0
  5 53  1  0  0  0  0
  6  7  1  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 56  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 60  1  0  0  0  0
  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
 10 62  1  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
 11 65  1  0  0  0  0
 12 13  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  1  0  0  0  0
 14 70  1  0  0  0  0
 14 71  1  0  0  0  0
 15 16  1  0  0  0  0
 15 72  1  0  0  0  0
 15 73  1  0  0  0  0
 16 17  1  0  0  0  0
 16 74  1  0  0  0  0
 16 75  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 76  1  0  0  0  0
 20 77  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 78  1  0  0  0  0
 22 79  1  0  0  0  0
 23 24  1  0  0  0  0
 23 80  1  0  0  0  0
 23 81  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 28 29  1  0  0  0  0
 28 84  1  0  0  0  0
 28 85  1  0  0  0  0
 29 30  1  0  0  0  0
 29 86  1  0  0  0  0
 29 87  1  0  0  0  0
 30 31  1  0  0  0  0
 30 88  1  0  0  0  0
 30 89  1  0  0  0  0
 31 32  1  0  0  0  0
 31 90  1  0  0  0  0
 31 91  1  0  0  0  0
 32 33  1  0  0  0  0
 32 92  1  0  0  0  0
 32 93  1  0  0  0  0
 33 34  1  0  0  0  0
 33 94  1  0  0  0  0
 33 95  1  0  0  0  0
 34 35  1  0  0  0  0
 34 96  1  0  0  0  0
 34 97  1  0  0  0  0
 35 36  1  0  0  0  0
 35 98  1  0  0  0  0
 35 99  1  0  0  0  0
 36 37  1  0  0  0  0
 36100  1  0  0  0  0
 36101  1  0  0  0  0
 37 38  1  0  0  0  0
 37102  1  0  0  0  0
 37103  1  0  0  0  0
 38 39  1  0  0  0  0
 38104  1  0  0  0  0
 38105  1  0  0  0  0
 39 40  1  0  0  0  0
 39106  1  0  0  0  0
 39107  1  0  0  0  0
 40 41  1  0  0  0  0
 40108  1  0  0  0  0
 40109  1  0  0  0  0
 41 42  1  0  0  0  0
 41110  1  0  0  0  0
 41111  1  0  0  0  0
 42112  1  0  0  0  0
 42113  1  0  0  0  0
 42114  1  0  0  0  0
M  END
$$$$