Molecule FYI-1007072

A

Molecule Summary:

ID: FYI-1007072
Names:
InChIKey: HHDXFPJBPBUXPK-UHFFFAOYSA-N
SMILES: O=C(O)CCC(=O)OCCCCOCCCCOC(=O)CCC(=O)OCCCCO

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007072 Edit

Molecule Structure InChIKey: HHDXFPJBPBUXPK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCC(=O)OCCCCOCCCCOC(=O)CCC(=O)OCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007072
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   30.3109    2.1000    0.0000 O   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
   29.0984    0.0000    0.0000 O   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
   26.6735    1.4000    0.0000 C   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
   25.4611    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   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
   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 O   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
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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 O   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
   10.9119    3.5000    0.0000 O   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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  1  0  0  0  0
 18 17  1  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  2  0  0  0  0
 25 23  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007072-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
    8.0860   -2.1535    1.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718   -2.4267    3.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120   -1.4792    3.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0450   -3.8389    3.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5480   -4.0944    3.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2408   -3.2995    4.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6480   -2.8463    5.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5446   -3.0990    4.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2650   -2.2651    5.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9156   -0.7848    4.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556   -0.2538    3.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8755    1.2167    3.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5763    1.9981    4.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2581    3.3844    4.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0361    4.1887    5.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5509    4.0470    5.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3412    4.8768    6.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0541    6.2785    5.9347 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7149    6.9289    4.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5623    6.4382    4.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2725    8.3727    4.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3458    8.9111    3.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4571    8.1240    2.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7882    7.1491    2.8327 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5738    8.6125    1.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2495    7.6688    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7474    7.4783    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4352    6.4128   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9967    5.0260   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4913    4.5396    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4300   -1.8144    4.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5700   -4.5078    2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5956   -4.0675    4.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9639   -3.8183    2.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488   -5.1535    3.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3313   -2.4219    4.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0722   -2.5975    6.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4588   -0.2135    5.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8466   -0.6251    5.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7346   -0.8387    2.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3329   -0.3697    3.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7954    1.3431    3.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1452    1.5545    2.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1832    3.5250    4.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5119    3.7293    3.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7670    3.8411    6.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    5.2415    5.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8108    4.3566    4.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8430    2.9962    5.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4177    4.6944    5.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0685    4.5841    7.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9281    8.9515    5.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2443    8.4543    5.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3738    8.8377    3.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0384    9.9616    3.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7580    6.7275    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6972    8.0443   -0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002    8.4340   -0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2489    7.2181    0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8162    6.7411   -2.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3441    6.3374   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0907    5.0205   -0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7041    4.3219   -1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8284    5.1111    1.2225 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  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 209👍, 0💬