Molecule FYI-1016047

A

Molecule Summary:

ID: FYI-1016047
Names:
InChIKey: WHPUHUAPKMAIAQ-UHFFFAOYSA-N
SMILES: CC(OC(=O)COC(=O)C(C)OC(=O)COC(=O)CO)C(=O)O

Received at FYIcenter.com on: 2025-11-12

Molecule ID: FYI-1016047 Edit

Molecule Structure InChIKey: WHPUHUAPKMAIAQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(OC(=O)COC(=O)C(C)OC(=O)COC(=O)CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016047
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016047-3D
FYIcenter.com

 39 38  0     1  0  0  0  0  0999 V2000
   -2.1730    0.2366    0.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617   -0.2385    0.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.3522   -0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6064   -0.3038   -0.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    1.6520    0.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7009   -1.5704    0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865   -0.0809    0.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2908   -1.6567   -0.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0509    1.7437    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1056    0.1820   -0.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9450    1.5623   -0.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546   -0.4891    0.6403 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8117   -1.0759    2.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -0.3794   -0.3981 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1859    0.4549    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238    0.5318   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525   -0.9093   -1.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7259   -0.3753   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2771   -0.4722    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4803    0.4333    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    0.5547   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7936    0.3834   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8877   -0.5354   -0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9359   -1.2756   -0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7963   -0.2832    2.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106   -1.6565    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573   -1.7286    2.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548   -1.1922    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090    0.9592   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6661    1.3114    0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2842   -0.0874   -2.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4201   -1.5581   -2.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826   -1.4784   -1.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930    1.2623   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444    0.7968    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9878   -1.3740   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6562   -0.8854   -1.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101    0.5269    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7926   -0.4322   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  2  0  0  0  0
  6 18  2  0  0  0  0
  7 21  1  0  0  0  0
  7 38  1  0  0  0  0
  8 19  2  0  0  0  0
  9 21  2  0  0  0  0
 10 23  1  0  0  0  0
 10 39  1  0  0  0  0
 11 22  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 14 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 20  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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