Molecule FYI-1015840

A

Molecule Summary:

ID: FYI-1015840
Names:
InChIKey: VWJKOSBGRCKAMU-UHFFFAOYSA-N
SMILES: O=C2CCCCC(=O)OCCCOC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)CCCCC(=O)OCCCO2

Received at FYIcenter.com on: 2025-10-20

Molecule ID: FYI-1015840 Edit

Molecule Structure InChIKey: VWJKOSBGRCKAMU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC(=O)OCCCOC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)CCCCC(=O)OCCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015840
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.6308    6.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    3.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5153    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7569    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899    1.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1421    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1553    3.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9674    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1798    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8790    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7464   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2885   11.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620   12.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5885   12.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6717   14.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5713   14.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269   15.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836   15.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899   16.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899   17.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081   14.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913   12.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   13.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913   11.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828   13.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995   14.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416   16.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668   16.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   15.3771    0.0000 C   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  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  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  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  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  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
 36  1  1  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
 30 41  1  0  0  0  0
 30 37  2  0  0  0  0
 39 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015840-3D
FYIcenter.com

 79 80  0  0  0  0  0  0  0  0999 V2000
    5.7991    2.0265   -1.5932 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2784    1.1654   -2.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7602    0.9903   -2.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    1.7209   -3.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7916    0.7902   -4.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6588    0.5631   -5.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8883   -0.7458   -6.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6629   -0.7094   -6.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316   -1.9147   -6.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7668   -2.2209   -5.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463   -3.7032   -5.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5499   -3.8243   -5.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0720   -5.1459   -5.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2492   -5.4703   -4.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5675   -6.6570   -4.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1949   -4.4644   -3.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2233   -4.9836   -3.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1168   -4.1461   -2.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9955   -2.7590   -2.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0805   -2.2339   -3.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1870   -3.0739   -4.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8793   -1.8651   -1.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0763   -2.1038   -1.6098 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3342   -0.7999   -1.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9400   -0.7656   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5815    0.3335    0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0656    0.2979    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4496    1.2226    1.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1049    1.2559    1.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6312    2.1586    2.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1348    0.2198    0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5748   -0.9197   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600   -1.8511   -0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9136   -2.7671   -1.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0551   -3.9581   -2.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6210   -5.0079   -2.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7162   -3.8000   -2.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1925   -2.5550   -2.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614   -2.1138   -2.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7400   -0.6090   -1.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962    0.0890   -2.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9807   -0.0754   -2.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2572    1.3096   -1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8624    2.5983   -4.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3871    2.0997   -3.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   -0.1178   -4.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6146    1.2751   -5.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0238    0.8268   -6.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8856    1.3129   -5.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6609   -1.9934   -4.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5538   -1.6107   -6.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1256   -4.0527   -6.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4265   -4.3296   -5.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5427   -3.3926   -4.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1959   -3.2707   -5.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3463   -6.0634   -2.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9036   -4.5885   -1.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467   -1.1629   -3.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5201   -2.5586   -4.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6198   -1.7436   -0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3869   -0.5411   -1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9392    1.3144   -0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0453    0.1413    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538   -0.6955    0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6704    0.4865   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814    0.8163    0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6109   -0.2275    1.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824   -1.5721    0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0149   -0.4968   -0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566   -1.1781   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -2.4527    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8699   -3.2142   -1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1540   -2.1529   -2.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8135   -1.8295   -2.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732   -2.5475   -0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869   -2.6924   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4679   -2.2681   -3.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -0.4842   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7311   -0.1960   -1.8844 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 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  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 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 58  1  0  0  0  0
 21 59  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 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 32 33  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 34  1  0  0  0  0
 33 70  1  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
 34 73  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 74  1  0  0  0  0
 38 75  1  0  0  0  0
 39 40  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
 40 41  1  0  0  0  0
 40 78  1  0  0  0  0
 40 79  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 811👍, 0💬