Molecule FYI-1006209

A

Molecule Summary:

ID: FYI-1006209
Names:
InChIKey: AINIFZLVVZHNRB-UHFFFAOYSA-N
SMILES: OCCOCCCCNC(O)C1CC(C(O)NCCCCOCCO)CC(C(O)NCCCCOCCO)C1

Received at FYIcenter.com on: 2023-12-02

Molecule ID: FYI-1006209 Edit

Molecule Structure InChIKey: AINIFZLVVZHNRB-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCOCCCCNC(O)C1CC(C(O)NCCCCOCCO)CC(C(O)NCCCCOCCO)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006209
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
   26.6736   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   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
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 O   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 10  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
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  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  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006209-3D
FYIcenter.com

 96 96  0  0  1  0  0  0  0  0999 V2000
    1.0089    0.7931   -0.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    0.6154   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    1.4197    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2933    1.2294    0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7835    1.9711    2.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2791    1.7401    2.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8651    2.4996    3.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687    2.2681    3.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8380    3.0381    4.5594 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2591    2.9046    4.7997 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9604    3.4126    3.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6646    3.7068    6.0499 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9297    3.1942    7.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2615    3.9601    8.5751 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6230    3.6547    9.1469 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8188    4.4716   10.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9573    2.2764    9.4845 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3760    2.2598    9.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7342    0.8289   10.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1686    0.7262   10.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4933   -0.7202   11.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3409   -1.4960    9.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6170   -2.8737   10.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4260   -3.6695    8.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3003   -3.1982    7.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0384    5.4634    8.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904    6.0427    7.0994 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3272    6.3055    7.2358 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1525    5.2057    7.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9066    6.8699    6.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3825    8.1768    5.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6378    9.1419    6.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1331    9.2366    7.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3764   10.1643    8.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7817   10.2446    8.5547 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0621   11.1286    9.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5687   11.1879    9.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2293   11.6680    8.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4321    5.2174    5.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451    0.2730   -1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081    0.9517   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.4487   -0.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    1.0746    1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585    2.4718    0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915    1.6282    2.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    3.0383    1.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7597    2.0553    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830    0.6670    2.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3769    2.1744    4.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6566    3.5726    3.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8462    2.6075    2.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5803    1.2014    3.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    2.6863    5.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5419    1.8554    4.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3930    4.1374    3.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7431    3.5518    6.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1203    2.1142    7.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8517    3.2902    7.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218    3.6696    9.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3608    3.8430    8.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5306    3.9057   11.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9121    1.7627    8.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5341    2.8713   10.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0383    2.6478    9.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6015    0.2220    9.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0485    0.4372   10.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3010    1.3395   11.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8551    1.1102    9.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8108   -1.0935   11.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5229   -0.7992   11.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9335   -3.2462   10.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6512   -2.9596   10.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4009   -3.5767    8.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6457   -4.7254    8.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781   -2.2550    7.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2216    6.0701    9.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9637    5.5981    8.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3281    7.0346    6.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4808    6.9186    8.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5049    4.9509    6.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7755    6.2361    5.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3180    8.1267    5.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8873    8.5258    4.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0988    8.8272    7.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221   10.1177    6.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6674    9.5920    6.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5721    8.2578    7.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8795    9.7763    9.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9775   11.1575    8.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5715   10.7582   10.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6755   12.1230    9.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9722   10.1963   10.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8024   11.8648   10.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0059   11.0287    7.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    5.5750    4.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3815    5.4161    5.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 51  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  1  0  0  0  0
  9 53  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  1  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 18 63  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 20 21  1  0  0  0  0
 20 67  1  0  0  0  0
 20 68  1  0  0  0  0
 21 22  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 71  1  0  0  0  0
 23 72  1  0  0  0  0
 24 25  1  0  0  0  0
 24 73  1  0  0  0  0
 24 74  1  0  0  0  0
 25 75  1  0  0  0  0
 26 27  1  0  0  0  0
 26 76  1  0  0  0  0
 26 77  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 27 78  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 79  1  0  0  0  0
 29 80  1  0  0  0  0
 30 31  1  0  0  0  0
 30 81  1  0  0  0  0
 31 32  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 33  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 34  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 35  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 90  1  0  0  0  0
 36 91  1  0  0  0  0
 37 38  1  0  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 38 94  1  0  0  0  0
 39 95  1  0  0  0  0
 39 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 2985👍, 0💬