Molecule FYI-1016538

A

Molecule Summary:

ID: FYI-1016538
Names:
InChIKey: BSYOBOJYVQMVHG-UHFFFAOYSA-N
SMILES: CC(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)CO)cc1)cc2

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

Molecule ID: FYI-1016538 Edit

Molecule Structure InChIKey: BSYOBOJYVQMVHG-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016538
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
   14.5492   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.9000    0.0000 C   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
    9.6995   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 O   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
    4.8498   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
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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
    4.8498    9.8000    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
  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  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 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 28 17  1  0  0  0  0
 29 13  1  0  0  0  0
 30 29  2  0  0  0  0
 30 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016538-3D
FYIcenter.com

 60 61  0     1  0  0  0  0  0999 V2000
    4.4099   -0.4728    0.7594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9984    0.0267    0.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6733    0.9736    1.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1510    1.8490    0.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671    2.8027   -0.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6637    4.4181    1.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412    3.3521   -2.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284   -3.2571   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961   -2.4943   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -2.3901   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -3.8567   -1.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3992   -4.5308    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8956   -2.3738   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775   -1.9353    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414   -2.7313    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -1.2381   -1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0763   -1.6941   -0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582   -1.2557    1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695   -1.9207    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8832   -0.4275   -0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2576   -1.1351    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8904   -0.7688   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3262    0.5855    1.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4011    1.6184    1.4010 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8200    1.4161   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8362    2.2238    0.5819 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2414    2.1810   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742    3.7186    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966    3.3508   -1.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3299    3.9657   -1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -3.0857   -2.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -4.4085   -2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4232   -4.5638   -2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2380   -5.2029    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4436   -4.2753    1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -5.1060    0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095   -2.7840   -2.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -2.0193    1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979   -3.6149    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -0.9529   -1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516   -1.6016   -1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703   -0.8599    2.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5515   -2.1907    1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496    0.4452   -1.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472    1.0807    1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    0.1596    2.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3617    2.4228    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181    1.7530    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9642    1.5864   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7739    1.9888    1.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3559    1.3939   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0314    2.9205   -0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8219    3.9666   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6858    4.0646    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6844    0.2410    0.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2310    2.0417   -0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5342    5.3661    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    3.1986   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1190    4.3979   -2.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    4.7618   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 24  1  0  0  0  0
  3 55  1  0  0  0  0
  4 26  1  0  0  0  0
  4 56  1  0  0  0  0
  5 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6 28  1  0  0  0  0
  6 57  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 17  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  2  0  0  0  0
 14 38  1  0  0  0  0
 15 19  1  0  0  0  0
 15 39  1  0  0  0  0
 16 20  2  0  0  0  0
 16 40  1  0  0  0  0
 17 21  2  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 19 22  2  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 459👍, 0💬