Molecule FYI-1014220

A

Molecule Summary:

ID: FYI-1014220
Names:
InChIKey: XUFOJNDJAWOONE-UHFFFAOYSA-N
SMILES: COC(=O)CCC(=O)OCCN2C(C)(C)CC(OC(=O)CCC(=O)OCCN1C(C)(C)CC(OC(=O)CCC(=O)OC)CC1(C)C)CC2(C)C

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014220 Edit

Molecule Structure InChIKey: XUFOJNDJAWOONE-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OCCN2C(C)(C)CC(OC(=O)CCC(=O)OCCN1C(C)(C)CC(OC(=O)CCC(=O)OC)CC1(C)C)CC2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014220
FYIcenter.com

 50 51  0  0  0  0  0  0  0  0999 V2000
    9.5120   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   11.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   14.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   14.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   16.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   14.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245   15.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245   15.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494   11.9004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120   11.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494   10.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    9.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    7.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    6.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    9.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    8.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    3.5004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4999    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
  7  2  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  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  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
 31 36  1  0  0  0  0
 31 32  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  1  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 42 47  2  0  0  0  0
 45 48  2  0  0  0  0
 17 49  1  0  0  0  0
 46 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014220-3D
FYIcenter.com

110111  0  0  0  0  0  0  0  0999 V2000
    6.5715    4.6952   -9.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7431    4.2447   -8.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8951    2.9154   -8.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6413    2.1624   -8.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    2.4869   -7.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354    1.3401   -6.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9622    1.8070   -5.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1699    2.9497   -5.4504 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8448    0.7792   -5.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0788    1.1353   -5.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0385    1.8587   -6.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3246    2.3210   -5.5101 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2026    1.2771   -4.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5833    0.2137   -5.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6659    0.5559   -3.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5544    1.8795   -4.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3828    3.0864   -3.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7001    3.5133   -3.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2077    2.8266   -2.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5476    2.2101   -1.2875 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7103    2.8142   -2.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2873    1.9974   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7674    1.9651   -1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4182    0.9261   -1.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2782    3.2405   -1.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7065    3.3106   -1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1758    4.1076   -2.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6491    4.2337   -2.6113 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9820    5.0596   -3.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4492    6.5123   -3.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3857    4.5107   -5.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5121    5.2398   -4.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2778    3.9280   -3.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7012    4.1825   -4.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1790    4.4229   -5.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5113    4.4230   -6.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6689    4.6813   -5.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0857    5.6261   -6.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4196    6.9820   -6.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6857    7.3569   -5.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8296    7.7688   -7.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2713    9.0868   -7.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9842    3.2648   -2.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4702    2.9952   -2.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4696    2.5395   -0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0184    1.7795   -3.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6961    4.1540   -4.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3023    3.6982   -4.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    4.7368   -6.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708    3.8648   -3.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3709    5.7550   -9.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353    4.1546  -10.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6281    4.5731   -9.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0341    2.1787   -7.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    3.3346   -6.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8006    0.4811   -6.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0055    1.0225   -5.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4970    0.1859   -4.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879    1.7083   -4.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5026    2.6782   -6.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    1.2105   -6.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7255   -0.2466   -6.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1607   -0.6015   -5.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2147    0.6551   -6.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9450   -0.2355   -3.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2285    1.2492   -2.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4747    0.0347   -3.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1498    2.1717   -5.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1705    1.1178   -3.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7795    2.8780   -2.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0741    3.8432   -2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0094    2.3612   -3.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9313    0.9619   -1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0077    2.4013   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0471    2.2959   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0949    3.7406   -0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7424    5.1062   -2.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6721    3.6849   -3.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3575    6.5716   -3.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7784    7.1383   -4.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8344    6.9792   -2.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2983    4.4064   -5.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8029    3.5465   -5.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5927    5.1925   -5.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9108    5.8904   -3.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7260    5.7781   -4.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9862    3.2606   -4.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1777    3.7191   -5.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9499    5.1103   -4.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8339    5.1950   -7.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1702    5.7799   -6.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6653    9.6352   -8.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5590    9.6184   -6.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1826    9.0333   -7.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3920    3.8949   -1.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5541    2.3274   -2.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5675    3.3929   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2761    1.8295   -0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6050    1.9620   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1538    1.9189   -4.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9687    1.5201   -3.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6042    0.8928   -2.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3523    4.4156   -5.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6100    5.0781   -3.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6364    4.6966   -6.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9578    5.7562   -5.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9235    4.6063   -6.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4710    3.2091   -2.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2519    3.6799   -4.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2571    4.8908   -3.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 54  1  0  0  0  0
  5 55  1  0  0  0  0
  6  7  1  0  0  0  0
  6 56  1  0  0  0  0
  6 57  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
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 62  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 65  1  0  0  0  0
 15 66  1  0  0  0  0
 15 67  1  0  0  0  0
 16 17  1  0  0  0  0
 16 68  1  0  0  0  0
 16 69  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 70  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 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 23  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  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 75  1  0  0  0  0
 26 76  1  0  0  0  0
 27 28  1  0  0  0  0
 27 77  1  0  0  0  0
 27 78  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 31 84  1  0  0  0  0
 32 33  1  0  0  0  0
 32 85  1  0  0  0  0
 32 86  1  0  0  0  0
 33 34  1  0  0  0  0
 33 43  1  0  0  0  0
 33 87  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 88  1  0  0  0  0
 37 89  1  0  0  0  0
 38 39  1  0  0  0  0
 38 90  1  0  0  0  0
 38 91  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 92  1  0  0  0  0
 42 93  1  0  0  0  0
 42 94  1  0  0  0  0
 43 44  1  0  0  0  0
 43 95  1  0  0  0  0
 43 96  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 97  1  0  0  0  0
 45 98  1  0  0  0  0
 45 99  1  0  0  0  0
 46100  1  0  0  0  0
 46101  1  0  0  0  0
 46102  1  0  0  0  0
 47 48  1  0  0  0  0
 47103  1  0  0  0  0
 47104  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49105  1  0  0  0  0
 49106  1  0  0  0  0
 49107  1  0  0  0  0
 50108  1  0  0  0  0
 50109  1  0  0  0  0
 50110  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1162👍, 0💬