Molecule Editor

Molecule ID: FYI-1016049 Edit

Molecule Structure InChIKey: YYZUSQDBVFPRAD-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016049
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   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
    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
    4.8618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1964    0.0018    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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 16 22  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016049-3D
FYIcenter.com

 39 38  0  0  1  0  0  0  0  0999 V2000
    2.5141   -0.7040   -0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -0.9563   -0.9864 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0756   -2.0308   -1.9415 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241   -3.2865   -1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9046   -3.5585   -0.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1676   -4.3320   -2.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590   -5.6670   -2.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6231    0.3027   -1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1768    0.3751   -2.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5029    1.3515   -0.7107 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705    2.5764   -1.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5897    2.6674   -1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    3.3850   -1.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690    1.9322   -0.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4937    1.9498    0.1510 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7687    2.5486    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309    0.5209    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3593   -0.4931   -0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3851    0.5320    0.2836 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9270   -0.6929    0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7720   -0.7507    2.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2520    0.1210    2.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968   -1.8688    2.8533 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433   -1.5962   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578   -0.4571   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.1186    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589   -1.2037   -0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488   -4.2209   -2.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787   -4.1835   -3.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4628   -5.6764   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593    3.3798   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7588    2.7704   -2.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0141    2.5241   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2989    1.9457    2.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3592    3.5583    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8437    2.5934    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9952   -0.6962    0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4585   -1.5685    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6729   -2.4999    2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  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
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$