Molecule FYI-1006472

A

Molecule Summary:

ID: FYI-1006472
Names: DIALLYL DIGLYCOL CARBONATE;
InChIKey: JHQVCQDWGSXTFE-UHFFFAOYSA-N
SMILES: C=CCOC(=O)OCCOCCOC(=O)OCC=C

Received at FYIcenter.com on: 2023-12-26

Molecule ID: FYI-1006472 Edit

Molecule Names: DIALLYL DIGLYCOL CARBONATE;

Molecule Structure InChIKey: JHQVCQDWGSXTFE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCOC(=O)OCCOCCOC(=O)OCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006472
FYIcenter.com

 37 36  0  0  0  0  0  0  0  0999 V2000
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    5.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    1.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    9.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    7.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    7.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871   10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871   10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   10.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006472-3D
FYIcenter.com

 37 36  0     0  0  0  0  0  0999 V2000
    0.0011   -0.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    0.2058    0.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.2005   -0.0979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7643    0.4292    0.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7649    0.4295   -0.1696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8742   -1.6963    0.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8752   -1.6962   -0.1148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744    0.3069    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751    0.3062   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -0.5997    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908   -0.6001   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497   -0.4791    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7506   -0.4790   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0854   -0.1211    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0861   -0.1206   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0707    0.9992    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0712    1.0000   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0124    1.2036   -0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0129    1.2048    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722    0.9535    0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2112    0.9543   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.9528   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    0.9540    0.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3497   -1.2539    0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038   -1.2330   -0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -1.2556   -0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019   -1.2344    0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2391   -0.7530   -0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1991   -0.7338    1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400   -0.7523    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1998   -0.7333   -1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0134    1.6816    1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0138    1.6823   -1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7013    2.0363   -0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1134    0.5511   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    2.0377    0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1140    0.5524    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

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2023-12-31, 348👍, 0💬