Molecule FYI-1009564

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A

Molecule Summary:

ID: FYI-1009564
Names:
InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-05-15

Molecule ID: FYI-1009564 Edit

Molecule Structure InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009564
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5492    0.0000    0.0000 C   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
   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
    9.6995    0.0000    0.0000 C   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
    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
    4.8497    0.0000    0.0000 C   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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009564-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    0.8919    0.0424   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    0.0377   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428   -0.1173    1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -0.1206    1.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9843   -0.2779    2.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046   -0.2834    2.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0180   -0.4426    4.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5372   -0.4458    4.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0505   -0.6069    5.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5694   -0.6079    5.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0837   -0.7710    7.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6030   -0.7720    7.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1166   -0.9352    8.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6368   -0.9370    8.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1480   -1.1006    9.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6691   -1.1030    9.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1946   -1.2664   11.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8083   -1.4234   12.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6121    0.5425    3.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8801   -1.1034    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6411   -1.3785    4.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6436    0.3764    4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9149    0.4906    3.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9126   -1.2641    3.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747   -1.5441    6.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6748    0.2105    6.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0132    0.0007    8.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9581   -0.6014   13.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6868   -1.6465   14.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 62  1  0  0  0  0
M  END
$$$$

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2024-05-16, 193👍, 0💬