Molecule FYI-1002488

A

Molecule Summary:

ID: FYI-1002488
Names: TRIETHYLENE GLYCOL DIMETHACRYLATE;
InChIKey: HWSSEYVMGDIFMH-UHFFFAOYSA-N
SMILES: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002488 Edit

Molecule Names: TRIETHYLENE GLYCOL DIMETHACRYLATE;

Molecule Structure InChIKey: HWSSEYVMGDIFMH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002488
FYIcenter.com

 42 41  0     0  0  0  0  0  0999 V2000
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6804   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6613    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5874    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  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
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  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
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 17 35  1  0  0  0  0
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 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002488-3D
FYIcenter.com

 42 41  0     0  0  0  0  0  0999 V2000
    1.3902   -2.5404   -0.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905   -2.5393    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263   -0.0793    0.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -0.0859   -0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445    1.3030   -0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1442    1.3034    0.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   -3.6982    0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -3.6985   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -2.4764    0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -2.4758   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -1.2239   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3885   -1.2233    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229    1.1256   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224    1.1261    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2288    2.2148    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2286    2.2154   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    2.0436    1.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427    2.0444   -1.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    3.3319   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654    3.3327    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -4.5986   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6404   -3.6765    1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4362   -1.2517    1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9356    2.9681    1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7314    3.4512   -1.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317    4.1628    0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315    3.4521    1.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  3 13  1  0  0  0  0
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  4 14  1  0  0  0  0
  5 13  2  0  0  0  0
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  7  8  1  0  0  0  0
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  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
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  9 11  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
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 20 42  1  0  0  0  0
M  END
$$$$

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2023-04-26, 1028👍, 0💬