Molecule FYI-1005878

A

Molecule Summary:

ID: FYI-1005878
Names:
InChIKey: ZRIFGPGBJQIZAY-UHFFFAOYSA-N
SMILES: O=C(O)c1ccc(C(=O)OCCOC(=O)CCCCC(=O)OCCOCCO)cc1

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005878 Edit

Molecule Structure InChIKey: ZRIFGPGBJQIZAY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1ccc(C(=O)OCCOC(=O)CCCCC(=O)OCCOCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005878
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   26.6736    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4610    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  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
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
 30 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005878-3D
FYIcenter.com

 56 56  0  0  0  0  0  0  0  0999 V2000
   -1.7830    0.0288   -3.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5747    0.8542   -3.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6608    0.5748   -1.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    2.2597   -3.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7775    2.8332   -4.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    4.1357   -4.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    4.8802   -4.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554    6.2536   -4.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5778    6.7343   -5.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229    6.8537   -3.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    8.1509   -4.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290    8.0005   -5.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    9.2630   -5.6965 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833    9.5886   -5.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7152    9.0756   -4.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646   10.6100   -6.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984   11.9777   -6.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786   12.6470   -4.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126   12.8827   -4.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5759   13.6758   -3.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213   14.0765   -2.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8790   13.9870   -2.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774   15.3317   -2.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479   15.4418   -0.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429   16.8184   -0.6379 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0903   17.0319    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3985   18.5144    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2516   19.3074    0.6351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    4.2950   -3.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3177    2.9898   -2.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    1.3425   -1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    2.2589   -5.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548    4.5619   -5.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5745    8.6613   -3.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3835    8.7697   -4.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9641    7.4597   -6.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290    7.3753   -4.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   10.2060   -7.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7399   10.6889   -6.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   11.8893   -6.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662   12.6343   -6.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   12.0494   -4.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532   13.6092   -4.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397   13.4676   -5.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   11.9372   -4.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2118   15.9673   -2.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8973   15.7321   -2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3252   14.8215   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210   15.0984   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9708   16.4323    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430   16.7361    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2063   18.8417    0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6873   18.7101    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9771   19.0397   -0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7526    4.8405   -2.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1665    2.5443   -1.7700 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 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  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 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  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 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  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 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2166👍, 0💬