Molecule FYI-1014560

A

Molecule Summary:

ID: FYI-1014560
Names:
InChIKey: WFBOYZZQPYDMKX-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2

Received at FYIcenter.com on: 2025-04-28

Molecule ID: FYI-1014560 Edit

Molecule Structure InChIKey: WFBOYZZQPYDMKX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014560
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6374    8.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0588    7.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9989    6.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5705    5.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3673    6.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    4.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7737    3.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7138    2.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0823    2.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5106    3.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855    1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170    0.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 20  1  0  0  0  0
 14 16  2  0  0  0  0
  2 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014560-3D
FYIcenter.com

 40 41  0     0  0  0  0  0  0999 V2000
    1.4273    2.2595   -0.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    2.2861    0.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    2.8868   -1.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    2.9216    1.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4158   -3.6773    1.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4439   -2.7989    0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979   -2.8810    0.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9042   -3.4338   -1.5194 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584    3.4324   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799    3.4393    0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    0.8678   -0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.9120    0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.7933   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.0786   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5409   -0.2322   -0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4405    0.5826    1.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5894   -1.4811    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5811   -1.4138   -0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5874    2.0920   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130    2.1503    0.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -0.3811   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716   -1.0842   -0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1989   -1.4066    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1156   -0.5803    0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2754   -2.7054    0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2845   -2.6265   -0.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2630    4.3242   -0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676    3.4066   -1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858    3.4086    1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    4.3435    0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.6423   -0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7578    0.2962   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4558   -0.2072    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733    1.2189    1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060   -0.4188   -0.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387   -1.7208   -1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -2.2399    0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0541   -0.7989    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884   -4.4983    1.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9102   -3.6195   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5 25  1  0  0  0  0
  5 39  1  0  0  0  0
  6 26  1  0  0  0  0
  6 40  1  0  0  0  0
  7 25  2  0  0  0  0
  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 31  1  0  0  0  0
 14 22  1  0  0  0  0
 14 32  1  0  0  0  0
 15 23  2  0  0  0  0
 15 33  1  0  0  0  0
 16 24  2  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 23  1  0  0  0  0
 17 25  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 18 26  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1117👍, 0💬