Molecule FYI-1016789

A

Molecule Summary:

ID: FYI-1016789
Names:
InChIKey: LYKSUFSTFUIRBK-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)COCC)cc1)cc2

Received at FYIcenter.com on: 2026-03-13

Molecule ID: FYI-1016789 Edit

Molecule Structure InChIKey: LYKSUFSTFUIRBK-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)COCC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016789
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.9741   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   12.6000    0.0000 O   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   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   13.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  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 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  2  0  0  0  0
 30 19  1  0  0  0  0
 31 15  1  0  0  0  0
 32 31  2  0  0  0  0
 32 12  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016789-3D
FYIcenter.com

 70 71  0  0  1  0  0  0  0  0999 V2000
    3.5197   -1.7927    4.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479   -0.6705    4.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6227    0.2066    5.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   -0.3234    3.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776   -1.0094    2.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4107    0.8303    3.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    1.2177    1.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2154    0.4278    1.5082 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7023    0.8499    0.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3225    0.5935    2.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6636    1.9853    2.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6169    2.3051    3.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6464    1.4716    3.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6040    1.9309    4.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5641    3.2356    5.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6352    3.7545    6.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0096    3.0488    6.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9352    5.2543    6.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1947    3.5129    7.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667    2.2023    8.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6017    1.9375    9.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4550    2.9793   10.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1079    2.8513   11.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8344    1.5189   12.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3725    1.5722   13.8270 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3947    2.1450   14.6510 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0784    2.3741   13.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0393    1.7714   13.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8305    2.5218   13.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908    1.8365   12.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6801    4.2834   10.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0430    4.5495    8.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4924    4.0479    5.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5434    3.5979    4.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -2.1176    5.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2649   -2.4185    3.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209   -0.1745    6.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300    1.2186    5.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7112    0.2616    5.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1615    2.2927    1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1890    1.1126    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9805   -0.6373    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1453    1.7080    0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1910    0.0188    2.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9841    0.2305    3.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7588    0.4636    3.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3832    1.2304    5.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969    3.2170    5.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9710    1.9655    6.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7543    3.4294    6.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2611    5.3969    5.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7326    5.6391    6.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0666    5.9025    6.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786    1.3538    7.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449    0.9016    9.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7570    0.9293   12.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0513    1.0574   11.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2076    0.5443   14.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5996    3.0181   14.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    3.4128   13.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7912    2.3947   15.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0027    3.5409   12.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4892    2.5619   14.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1294    1.7786   11.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    2.3770   12.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6261    0.8083   12.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5783    5.1091   10.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2122    5.5886    8.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3669    5.0565    5.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7502    4.2634    3.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  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
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  2  0  0  0  0
 13 14  2  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  2  0  0  0  0
 20 21  2  0  0  0  0
 20 54  1  0  0  0  0
 21 22  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 34  1  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 535👍, 0💬