Molecule FYI-1013653

A

Molecule Summary:

ID: FYI-1013653
Names:
InChIKey: UUIGHHGIRWAVKT-UHFFFAOYSA-N
SMILES: O=C(O)c4ccc(C(=O)OCCOC(=O)c3ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2)cc3)cc4

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013653 Edit

Molecule Structure InChIKey: UUIGHHGIRWAVKT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c4ccc(C(=O)OCCOC(=O)c3ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013653
FYIcenter.com

 59 62  0  0  0  0  0  0  0  0999 V2000
   15.5371    6.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6753    5.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6753    4.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8133    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5371    3.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3990    4.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2608    3.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2608    2.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3990    1.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5371    2.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    1.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9847    2.6219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    0.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9443    1.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5857    2.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5453    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1867    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464    0.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878    0.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4694    2.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5098    3.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916    4.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8329    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108    2.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146    6.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    7.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    6.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6647    7.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6647    8.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266    9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3884    8.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3884    7.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266    6.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2504    6.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1122    7.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2504    5.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8028    9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9408    8.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8028   10.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9408    7.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0639    8.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1546    9.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534   11.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    8.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071    9.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430   10.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   12.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3277   13.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6989   12.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290   13.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878   15.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165   15.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865   14.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1178   16.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891   16.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   17.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 30  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  1  0  0  0  0
  1 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 28 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
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 51 56  1  0  0  0  0
 51 52  2  0  0  0  0
 54 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013653-3D
FYIcenter.com

 97100  0  0  0  0  0  0  0  0999 V2000
   -1.7446   34.6841   -0.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235   34.9834   -1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   36.2683   -1.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843   33.9578   -1.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1147   32.7642   -2.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7413   31.7048   -2.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183   31.8353   -2.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   30.7786   -2.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080   31.0260   -2.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373   29.5495   -2.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198   28.4169   -2.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5820   28.0831   -4.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4775   26.9704   -4.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9561   25.9046   -4.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059   25.7720   -5.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656   24.8251   -5.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378   25.0616   -5.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2192   23.9846   -5.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7415   22.6631   -5.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7187   21.5494   -5.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9238   21.7251   -5.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0766   20.3525   -5.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9097   19.1904   -5.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2265   18.9593   -7.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0909   17.7143   -7.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4674   17.4976   -9.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1936   18.6101   -9.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5173   18.6440   -9.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   17.8513   -8.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1748   19.8303  -10.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7529   20.3894  -11.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4281   21.4967  -11.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5245   22.0551  -11.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2064   23.2845  -11.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7808   24.0611  -10.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0567   23.4215  -12.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3039   24.7350  -13.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5739   24.8218  -14.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7155   26.1495  -14.8472 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0132   26.3676  -15.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2999   25.5526  -16.5521 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2553   27.7377  -16.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5808   28.8172  -15.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7443   30.0955  -16.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5930   30.2990  -17.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6927   31.6886  -18.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9141   32.6694  -17.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4345   31.7065  -19.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1530   32.9901  -20.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3587   33.9194  -20.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3059   33.4024  -21.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2889   29.2098  -18.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1093   27.9389  -17.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9493   21.4952   -9.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2835   20.3814   -9.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3643   22.4370   -5.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865   23.5100   -5.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   33.0291   -1.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617   34.0845   -1.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322   36.4016   -1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   32.6691   -2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3082   30.7960   -2.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742   27.5681   -2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3908   28.5950   -2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   28.9418   -4.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928   27.9258   -4.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   26.0702   -5.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2859   24.1868   -5.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3421   18.3411   -5.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8192   19.2782   -5.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297   19.8428   -7.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880   18.8616   -8.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541   16.8293   -7.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0004   17.8101   -7.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5586   17.3811   -9.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0414   16.5703   -9.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   19.9781  -11.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0760   21.9284  -12.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3261   25.5025  -12.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348   24.9755  -14.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5899   24.0604  -15.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4578   24.6286  -13.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6791   28.6899  -14.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9723   30.9420  -15.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3544   33.4741  -19.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7556   32.7681  -21.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8653   34.1180  -19.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0118   34.8789  -20.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0053   32.9441  -20.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1672   29.3385  -19.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8455   27.0982  -18.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7837   21.9266   -9.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6261   19.9464   -8.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480   21.4337   -5.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4181   23.3156   -5.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6913   33.1180   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1962   34.9597   -0.8310 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 60  1  0  0  0  0
  4  5  1  0  0  0  0
  4 59  2  0  0  0  0
  5  6  2  0  0  0  0
  5 61  1  0  0  0  0
  6  7  1  0  0  0  0
  6 62  1  0  0  0  0
  7  8  1  0  0  0  0
  7 58  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 63  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 12 65  1  0  0  0  0
 12 66  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 57  2  0  0  0  0
 17 18  2  0  0  0  0
 17 67  1  0  0  0  0
 18 19  1  0  0  0  0
 18 68  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  2  0  0  0  0
 20 21  2  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
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 25  1  0  0  0  0
 24 71  1  0  0  0  0
 24 72  1  0  0  0  0
 25 26  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  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
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  2  0  0  0  0
 31 32  2  0  0  0  0
 31 77  1  0  0  0  0
 32 33  1  0  0  0  0
 32 78  1  0  0  0  0
 33 34  1  0  0  0  0
 33 54  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 39  1  0  0  0  0
 38 81  1  0  0  0  0
 38 82  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 53  2  0  0  0  0
 43 44  2  0  0  0  0
 43 83  1  0  0  0  0
 44 45  1  0  0  0  0
 44 84  1  0  0  0  0
 45 46  1  0  0  0  0
 45 52  2  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 85  1  0  0  0  0
 49 86  1  0  0  0  0
 50 51  1  0  0  0  0
 50 87  1  0  0  0  0
 50 88  1  0  0  0  0
 51 89  1  0  0  0  0
 52 53  1  0  0  0  0
 52 90  1  0  0  0  0
 53 91  1  0  0  0  0
 54 55  1  0  0  0  0
 54 92  1  0  0  0  0
 55 93  1  0  0  0  0
 56 57  1  0  0  0  0
 56 94  1  0  0  0  0
 57 95  1  0  0  0  0
 58 59  1  0  0  0  0
 58 96  1  0  0  0  0
 59 97  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1079👍, 0💬