Molecule FYI-1012282

A

Molecule Summary:

ID: FYI-1012282
Names:
InChIKey: KKXWXOTXCXUUCX-UHFFFAOYSA-N
SMILES: CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(=O)O

Received at FYIcenter.com on: 2024-08-22

Molecule ID: FYI-1012282 Edit

Molecule Structure InChIKey: KKXWXOTXCXUUCX-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1012282
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012282-3D
FYIcenter.com

 51 50  0     1  0  0  0  0  0999 V2000
   -2.0159   -1.8283   -0.1698 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0631   -0.7700   -0.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9831    0.7826   -0.4507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010   -1.8092    1.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    0.7909    2.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4323    1.3803    1.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134   -1.6514    0.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    3.1942   -0.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869    1.1860    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127   -1.7089    1.0072 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5521   -2.0828   -1.1724 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0313   -1.9977   -1.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6624   -1.8674    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180   -3.1062    1.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867   -2.6417   -2.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8840    0.5360    0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6168    0.7539   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462    2.2720   -1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9141    0.9225    0.7266 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2103   -0.6984   -0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2535    3.1029    0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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  2 22  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
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  5 21  1  0  0  0  0
  5 50  1  0  0  0  0
  6 18  2  0  0  0  0
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  8 25  1  0  0  0  0
  8 51  1  0  0  0  0
  9 25  2  0  0  0  0
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 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 23  1  0  0  0  0
 14 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 21  1  0  0  0  0
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 19 39  1  0  0  0  0
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 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 626👍, 0💬