Molecule FYI-1016581

A

Molecule Summary:

ID: FYI-1016581
Names:
InChIKey: AIWZIHMYQSGKIY-UHFFFAOYSA-N
SMILES: O=C(O)c3ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCCO)cc1)cc2)cc3

Received at FYIcenter.com on: 2026-01-23

Molecule ID: FYI-1016581 Edit

Molecule Structure InChIKey: AIWZIHMYQSGKIY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCCO)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016581
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
   11.5515    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4064    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042    0.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5906    2.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4839    3.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0861    4.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9795    5.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2705    5.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5817    6.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3799    7.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0813    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7861    9.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1693    9.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5671    8.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8928    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2906    6.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6018    8.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7086    7.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5243    6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2332    7.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    6.1887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7377    4.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8650    3.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5940    4.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    3.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1010    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3906    2.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7818    3.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8834    4.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5465    8.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1466    8.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599    9.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4334    7.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1732   10.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4865   12.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866   12.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   10.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    9.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132   14.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131   14.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2263   15.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6262   15.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   16.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7394   16.8472    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  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  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  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
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 23 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 35 41  1  0  0  0  0
 35 37  2  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016581-3D
FYIcenter.com

 87 89  0  0  0  0  0  0  0  0999 V2000
    6.5949   -1.2401   -4.1766 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5528   -0.6577   -3.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9835   -0.6752   -2.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    0.1025   -4.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785   -0.3865   -6.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508    0.3414   -7.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364    1.5700   -7.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937    2.3218   -8.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496    1.8990   -9.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    3.5033   -7.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7434    4.3753   -8.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    5.2659   -9.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    6.1783   -8.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    7.0141   -9.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    7.8393  -10.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2047    9.1746   -9.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746    9.7190   -8.8004 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    9.8331  -11.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260   11.2027  -11.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962   11.8065  -12.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840   11.0424  -13.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7895   11.7064  -14.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9093   12.9116  -14.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0431   10.7776  -15.3524 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5808   11.1218  -16.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   11.2648  -17.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5652    9.9907  -17.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6277   10.1209  -18.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158   10.3624  -20.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5912    9.2707  -20.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    8.1113  -20.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    9.6985  -22.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    8.7181  -22.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7396    9.0733  -24.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6690   10.4138  -24.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   10.7556  -25.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    9.9388  -26.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2057   12.0951  -26.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7510   12.4772  -27.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524   13.2785  -28.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4201   13.7791  -29.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4642   14.5624  -30.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1418   14.9790  -31.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2295   11.3950  -23.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8627   11.0415  -22.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8960    9.6745  -13.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182    9.0781  -12.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    2.0578   -5.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977    1.3355   -4.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170   -0.2326   -2.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -1.3330   -6.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605   -0.0582   -8.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    4.9876   -8.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598    3.7825   -9.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    5.8725  -10.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    4.6374   -9.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003    5.5711   -7.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021    6.8426   -7.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3262    6.3483   -9.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493    7.5978   -8.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8418   11.8055  -10.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060   12.8760  -12.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9706   12.0325  -16.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9200   10.3056  -16.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3701   12.0946  -17.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861   11.5218  -18.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9048    9.1475  -18.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0571    9.7708  -16.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2728    9.2360  -18.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2754   10.9799  -18.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    7.6727  -22.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3246    8.2884  -24.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232   11.6141  -27.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6187   13.1054  -27.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3760   14.1232  -27.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8819   12.6555  -28.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271   12.9331  -29.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832   14.4102  -29.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0786   15.4493  -29.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6168   13.9400  -30.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8305   15.6140  -31.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057   12.4460  -23.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3071   11.8264  -21.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1763    9.0507  -14.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0134    8.0122  -12.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    3.0182   -5.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2439    1.7891   -3.6857 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 50  1  0  0  0  0
  4  5  1  0  0  0  0
  4 49  2  0  0  0  0
  5  6  2  0  0  0  0
  5 51  1  0  0  0  0
  6  7  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7 48  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 55  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 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  2  0  0  0  0
 19 20  2  0  0  0  0
 19 61  1  0  0  0  0
 20 21  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 29  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 45  2  0  0  0  0
 33 34  2  0  0  0  0
 33 71  1  0  0  0  0
 34 35  1  0  0  0  0
 34 72  1  0  0  0  0
 35 36  1  0  0  0  0
 35 44  2  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
 40 41  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
 41 42  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 42 43  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 43 81  1  0  0  0  0
 44 45  1  0  0  0  0
 44 82  1  0  0  0  0
 45 83  1  0  0  0  0
 46 47  1  0  0  0  0
 46 84  1  0  0  0  0
 47 85  1  0  0  0  0
 48 49  1  0  0  0  0
 48 86  1  0  0  0  0
 49 87  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 938👍, 0💬