Molecule FYI-1016297

A

Molecule Summary:

ID: FYI-1016297
Names:
InChIKey: TUONAUQJQTVITN-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCCOCCCCOCCCCO)cc1)cc2

Received at FYIcenter.com on: 2025-12-02

Molecule ID: FYI-1016297 Edit

Molecule Structure InChIKey: TUONAUQJQTVITN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCCOCCCCOCCCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016297
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
   38.7979    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1605    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1605    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.2000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    3.5000    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
   21.8239    1.4000    0.0000 C   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
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 O   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
   15.7616    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 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
    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 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  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
 43 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016297-3D
FYIcenter.com

 85 86  0  0  0  0  0  0  0  0999 V2000
   -1.8611   -4.5382  -12.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514   -4.8421  -12.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7422   -4.7686  -14.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902   -5.3135  -12.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130   -6.0290  -11.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819   -6.4386  -10.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -6.1344  -10.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   -6.5585  -10.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0303   -6.7254  -10.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676   -6.6809   -8.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0806   -7.0019   -8.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -8.5128   -8.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1840   -9.2613   -7.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548  -10.7737   -7.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5632  -11.2045   -6.9575 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3707  -11.9922   -5.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6162  -11.7516   -4.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1072  -13.2832   -6.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9956  -14.2753   -5.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5953  -15.5291   -5.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3160  -15.7936   -6.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8730  -17.1473   -6.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9563  -17.6588   -7.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1773  -17.7290   -5.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7584  -19.0908   -5.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9078  -20.0871   -5.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8940  -19.8361   -4.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9769  -20.9121   -4.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6978  -20.9176   -5.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7259  -21.9034   -5.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4471  -21.8580   -6.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0941  -20.4932   -7.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8368  -20.4592   -8.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9200  -20.7311   -9.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5515  -20.7002  -10.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5069  -20.9797  -11.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3915  -19.9339  -11.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3546  -20.2007  -12.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435  -19.2021  -12.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4127  -14.8149   -7.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8269  -13.5644   -7.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031   -5.4194  -12.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -4.9920  -12.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445   -5.1632  -14.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548   -6.2739  -10.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -6.9990   -9.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680   -6.6285   -7.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9343   -6.4707   -8.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2748   -8.7181   -7.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4145   -8.8746   -9.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352   -9.0245   -8.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1106   -8.9183   -6.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170  -11.1202   -8.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753  -11.2569   -7.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4134  -14.1055   -4.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4663  -16.2995   -4.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582  -19.3566   -6.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954  -19.1485   -4.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4399  -20.0613   -6.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790  -21.0907   -5.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3602  -19.8196   -3.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3648  -18.8564   -4.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5246  -21.8973   -3.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6654  -20.6983   -3.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2823  -22.8956   -5.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4321  -21.7116   -4.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7262  -22.0747   -7.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2132  -22.6416   -6.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7928  -20.2528   -6.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3169  -19.7192   -7.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6369  -21.2080   -8.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2783  -19.4669   -8.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3333  -21.4667  -10.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0081  -19.7175  -10.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0674  -21.9702  -11.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9959  -20.9972  -12.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8135  -18.9311  -11.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8924  -19.9148  -10.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815  -21.1789  -12.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8114  -20.1712  -13.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9478  -19.2358  -11.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9304  -15.0223   -8.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9054  -12.8213   -8.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756   -5.1749  -12.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -4.3823  -13.7048 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 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  2  0  0  0  0
  5  6  2  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  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 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  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 41  2  0  0  0  0
 19 20  2  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  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 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 33 34  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 37 38  1  0  0  0  0
 37 77  1  0  0  0  0
 37 78  1  0  0  0  0
 38 39  1  0  0  0  0
 38 79  1  0  0  0  0
 38 80  1  0  0  0  0
 39 81  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  0  0  0  0
 41 83  1  0  0  0  0
 42 43  1  0  0  0  0
 42 84  1  0  0  0  0
 43 85  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 687👍, 0💬