Molecule FYI-1003879

A

Molecule Summary:

ID: FYI-1003879
Names:
InChIKey: BFTGWUUHOMAGPO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2023-08-03

Molecule ID: FYI-1003879 Edit

Molecule Structure InChIKey: BFTGWUUHOMAGPO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003879
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
   46.0726    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8600    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6476    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4352    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2228    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0103    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  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  1  0  0  0  0
 33 32  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  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003879-3D
FYIcenter.com

114113  0  0  1  0  0  0  0  0999 V2000
   17.1472   28.3083   16.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6889   26.8758   16.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1870   26.3250   14.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7207   24.8934   14.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1916   24.3500   13.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7138   22.9181   13.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1550   22.2935   11.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6609   20.8383   11.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1738   20.0106   10.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6918   18.5387   10.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4901   17.6234    9.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8781   16.2853    9.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0495   15.8250    7.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6407   14.4086    7.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1618   14.0645    5.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8030   12.6162    5.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3532   12.1455    4.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8655   12.2416    4.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4553   12.8255    3.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4607   11.5373    5.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9053   11.5579    5.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3986   12.8750    5.6884 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.8625   13.0105    7.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9345   12.9190    5.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3896   14.1612    6.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5964   14.1506    7.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5277   13.1569    8.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0364   15.5040    8.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2421   16.6915    7.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7584   16.6707    7.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0429   17.8824    7.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5495   17.9055    7.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5507   18.8314    6.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9493   18.7308    6.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0562   19.9842    6.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6798   19.6558    7.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6689   20.7708    7.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2661   20.4809    7.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3306   21.6074    7.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9044   21.4212    8.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0103   22.5372    7.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5714   22.3384    7.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7930   28.7089   17.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651   28.9414   15.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2412   28.3684   16.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5946   26.8351   16.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0659   26.2626   16.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2827   26.3618   14.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8133   26.9416   13.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6255   24.8462   14.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1090   24.2674   15.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2863   24.3906   13.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7925   24.9590   12.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6186   22.8914   13.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0954   22.3293   13.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2687   22.3140   11.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7766   22.8382   10.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5629   20.8354   11.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801   20.3350   12.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2731   20.0810   10.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8161   20.4854    9.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6230   18.5066   10.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8372   18.1970   11.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4322   17.3866   10.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7516   18.3312    8.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8030   16.3140    9.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3182   15.4882    9.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0569   15.8730    7.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4396   16.4228    6.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5484   14.3441    7.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0471   13.7033    7.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2589   14.1817    5.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7536   14.7428    5.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7099   12.5281    5.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1644   11.9572    6.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9138   12.7438    3.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0641   11.0997    3.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3164   11.3906    4.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2065   10.7127    5.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0156   13.7388    5.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3299   12.3760    7.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3205   12.8704    4.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3552   12.0629    6.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0938   15.6267    7.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9761   15.4847    9.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3444   16.7452    6.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6807   17.6105    8.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6347   16.6983    9.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3019   15.7326    7.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1585   17.8405    6.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4897   18.8060    7.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5795   18.2450    8.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2799   16.8711    7.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8078   18.6516    5.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8105   19.8564    7.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5685   18.1441    7.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6152   18.2030    5.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8668   20.3675    5.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5484   20.7727    7.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8104   19.5181    8.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2636   18.7157    7.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5906   20.9628    6.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0399   21.7015    7.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2833   20.4089    9.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8954   19.5225    7.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3206   21.6536    6.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7175   22.5692    7.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8911   21.4308    9.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5192   20.4473    7.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0567   22.5596    6.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3715   23.5094    7.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735   21.4010    7.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9466   23.1593    7.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4966   22.3056    8.9950 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  1  0  0  0  0
 17 76  1  0  0  0  0
 17 77  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 78  1  0  0  0  0
 21 79  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 80  1  0  0  0  0
 23 81  1  0  0  0  0
 24 25  1  0  0  0  0
 24 82  1  0  0  0  0
 24 83  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  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
$$$$

✍: FYIcenter.com

2023-08-09, 1600👍, 0💬