Molecule FYI-1015608

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A

Molecule Summary:

ID: FYI-1015608
Names:
InChIKey: OLBAYJUQWFSQAY-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(C)=O)c(OC(C)=O)c1

Received at FYIcenter.com on: 2025-09-13

Molecule ID: FYI-1015608 Edit

Molecule Structure InChIKey: OLBAYJUQWFSQAY-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(OC(C)=O)c(OC(C)=O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015608
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015608-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
    0.9444   -1.3716   -0.7709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    0.6339    0.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3433   -2.5050    1.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319    1.7981   -1.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    0.8551   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3541    0.9383   -0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -0.2297   -0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025   -0.3079   -0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3373    1.8616    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.6987    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    1.7833    0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670    0.2816    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -2.4578    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9630    1.2441   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0494   -0.7694    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800   -3.5728   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3803    1.1197    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6514    1.9901   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970    0.5042   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885   -1.0175   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263    2.7113    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516    2.5705    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2969    0.7056    1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6899   -1.1897    0.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.2268   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735   -3.9065   -1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -4.4143    0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8119   -3.2327   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4907    1.6182    1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0481    1.6009   -0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6516    0.0640    0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 441👍, 0💬