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
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    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
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    2.3299    3.9657   -1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
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 20 44  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 27  1  0  0  0  0
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 30 60  1  0  0  0  0
M  END
$$$$

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2026-04-13, 317👍, 0💬