Molecule FYI-1012926

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A

Molecule Summary:

ID: FYI-1012926
Names:
InChIKey: BITAPBDLHJQAID-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCCN(CCO)CCO

Received at FYIcenter.com on: 2024-10-29

Molecule ID: FYI-1012926 Edit

Molecule Structure InChIKey: BITAPBDLHJQAID-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012926
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   20.6114    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   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
    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
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  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  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012926-3D
FYIcenter.com

 70 69  0  0  0  0  0  0  0  0999 V2000
    2.4661   11.0284   -2.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887   10.1680   -3.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3713    9.4234   -2.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4009    8.5542   -3.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2705    7.8213   -2.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3029    6.9519   -2.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1671    6.2129   -1.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1758    5.3461   -2.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0404    4.5504   -1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9762    3.6962   -1.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3028    3.4350   -3.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7100    3.9014   -3.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7741    3.1169   -3.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1743    3.5498   -3.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1818    2.7452   -2.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6078    3.1463   -2.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5688    2.3014   -2.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0324    2.6526   -2.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4461    4.0594   -2.1276 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2532    4.3369   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5490    5.7895   -0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8336    6.6098   -1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8882    4.1940   -2.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7503    8.7929   -1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887   10.1416   -1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0294    9.1777   -3.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5996    3.9383   -4.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1968    2.3629   -3.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8543    3.7653   -4.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6462    2.0445   -3.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3064    4.6208   -3.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3282    3.3880   -4.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0406    1.6752   -2.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
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M  END
$$$$

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2024-11-05, 959👍, 0💬