Molecule FYI-1016540

A

Molecule Summary:

ID: FYI-1016540
Names:
InChIKey: ZLYFRDDRQRHRJP-SMQSGIDESA-N
SMILES: CC(C)(c1ccc(OCC(O)CO/C=C\\CO)cc1)c2ccc(OCC(O)COC/C=C/O)cc2

Received at FYIcenter.com on: 2026-01-19

Molecule ID: FYI-1016540 Edit

Molecule Structure InChIKey: ZLYFRDDRQRHRJP-SMQSGIDESA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)CO/C=C\CO)cc1)c2ccc(OCC(O)COC/C=C/O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016540
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   18.1864   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
   20.6113   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 12  1  0  0  0  0
 29 28  2  0  0  0  0
 29  9  1  0  0  0  0
  1 30  2  0  0  0  0
 25 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016540-3D
FYIcenter.com

 71 72  0  0  1  0  0  0  0  0999 V2000
    0.9747    0.0019   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -0.0648    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0224   -0.5947   -1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1072    1.3565    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    1.6835    1.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620    2.9240    1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    3.8776    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292    5.0930    0.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9027    5.3894    1.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5198    6.7827    1.3009 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4841    7.7751    1.2153 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4513    7.0679    2.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1576    8.3037    2.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467    9.3859    2.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4568   10.5597    2.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138   10.8363    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855   11.2219   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5486    3.5994   -0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9011    2.3616   -0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9318   -1.0404    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983   -1.8212    1.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5109   -2.6370    2.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -2.6883    3.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0925   -3.4231    4.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776   -4.2294    4.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310   -5.0490    5.6600 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5916   -4.1762    6.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297   -5.9632    5.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -6.8817    4.8207 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9619   -7.7349    5.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967   -8.6673    3.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469   -9.9985    3.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8651  -10.8801    2.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191   -1.9167    3.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2084   -1.0996    2.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    0.5611   -0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5175    0.4960    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452   -1.0050   -0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246   -0.0077   -2.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -1.6327   -1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1141   -0.5420   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072    0.9706    2.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1952    3.0945    2.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7076    4.6452    1.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3210    5.3795    2.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0745    6.8418    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    7.6281    1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2160    6.2840    2.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9028    7.0433    3.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784    9.2259    3.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   11.3806    2.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7795    9.9736    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9144   11.6602    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7020   10.4520   -0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    4.3422   -1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    2.1866   -1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7398   -1.7869    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4274   -3.2013    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1466   -3.5689    4.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2126   -4.9092    3.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415   -5.6524    5.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858   -3.6283    6.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116   -5.3747    6.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3818   -6.5173    6.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460   -7.1340    5.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656   -8.2794    5.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7953   -8.1989    2.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580  -10.5214    4.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602  -10.3847    2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -1.9255    4.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313   -0.4780    2.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  2  0  0  0  0
 21 22  2  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 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  2  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
 33 69  1  0  0  0  0
 34 35  1  0  0  0  0
 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 655👍, 0💬