Molecule FYI-1015902

A

Molecule Summary:

ID: FYI-1015902
Names:
InChIKey: IWYJNIGOOCKQER-UHFFFAOYSA-N
SMILES: CCOC(=O)CCCCC(=O)OCCOC(=O)CCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)OC)cc1

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015902 Edit

Molecule Structure InChIKey: IWYJNIGOOCKQER-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)CCCCC(=O)OCCOC(=O)CCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)OC)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015902
FYIcenter.com

 41 41  0  0  0  0  0  0  0  0999 V2000
    3.6378    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2753    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    3.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    5.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   12.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   11.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   12.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   11.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749   12.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872   11.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751   13.9989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.4983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8418    7.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1596    5.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766    3.3995    0.0000 C   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
  1 15  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 25 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 33  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 32 41  1  0  0  0  0
 15 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015902-3D
FYIcenter.com

 81 81  0  0  0  0  0  0  0  0999 V2000
   19.6890   -7.4243    6.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5456   -6.6289    6.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5657   -6.4233    5.8178 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5292   -5.1877    5.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2457   -4.2410    5.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5252   -5.2596    4.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1580   -3.8991    3.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2449   -4.0333    2.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9076   -4.7188    2.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0945   -3.9629    3.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9977   -2.7458    3.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4463   -4.8254    4.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5820   -4.2033    5.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3431   -3.7274    6.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   -4.8205    7.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1557   -4.9723    7.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9596   -4.4524    6.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5290   -5.8251    8.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0522   -5.9354    8.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5698   -6.7397   10.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0991   -6.6910   10.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6878   -7.6214   11.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5096   -7.2868   12.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3676   -8.9080   10.9940 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4300   -9.8575   11.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690  -10.7303   12.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9482  -11.5045   12.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8604  -12.4573   13.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9105  -13.4375   13.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6277  -14.5500   12.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5847  -14.7855   12.2141 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8062  -15.4558   12.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6878  -16.6616   12.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7797  -17.5194   11.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0088  -17.1872   12.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1583  -18.1136   12.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0633  -19.1821   11.6592 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2805  -17.6053   12.7972 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4464  -18.4208   12.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1283  -15.9882   13.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0301  -15.1299   13.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4538   -7.5798    7.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1181   -6.9287    5.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3128   -8.4011    5.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8633   -5.7008    7.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0702   -7.2744    7.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6316   -5.7574    4.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9618   -5.8896    3.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0677   -3.3620    3.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6814   -3.2877    4.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7723   -4.6043    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -3.0342    1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0710   -5.7474    2.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162   -4.7821    1.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8275   -4.9469    5.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0494   -3.3608    4.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6552   -3.1574    7.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1603   -3.0529    6.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0955   -6.8215    8.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1148   -5.3593    9.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5099   -4.9386    8.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3613   -6.4376    8.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2375   -7.7788   10.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1287   -6.3501   11.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4424   -5.6693   10.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6039   -7.0014    9.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4085   -9.3613   11.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4130  -10.4835   10.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3220  -10.1092   13.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1133  -11.4297   12.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8662  -12.0727   11.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1067  -10.8044   12.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8738  -12.9344   13.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9900  -11.9053   14.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7385  -16.9327   11.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6649  -18.4428   11.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2882  -17.9024   13.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6734  -18.5604   11.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3060  -19.3831   13.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0712  -15.7038   13.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1554  -14.2057   13.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2 45  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  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
  9 54  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  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 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 22  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  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 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  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 41  2  0  0  0  0
 33 34  2  0  0  0  0
 33 75  1  0  0  0  0
 34 35  1  0  0  0  0
 34 76  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  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 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 40 41  1  0  0  0  0
 40 80  1  0  0  0  0
 41 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 981👍, 0💬