Molecule FYI-1004197

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A

Molecule Summary:

ID: FYI-1004197
Names:
InChIKey: ORUOJCCEBVYQJL-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCCN(CCO)CCCN

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004197 Edit

Molecule Structure InChIKey: ORUOJCCEBVYQJL-KTKRTIGZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004197
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   21.8238    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   18.1865    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    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
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  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
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 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 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 22  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004197-3D
FYIcenter.com

 74 73  0  0  0  0  0  0  0  0999 V2000
    4.2993   -6.2594   11.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774   -6.6830   10.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1841   -5.5228   10.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1713   -5.9377    9.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0597   -4.7588    8.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0509   -5.1568    7.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9376   -3.9731    7.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094   -4.4083    6.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8619   -3.3269    5.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8059   -3.5256    4.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9783   -4.8113    4.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7966   -4.6143    2.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8072   -3.6540    2.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2378   -4.1015    2.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2471   -3.1116    1.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6589   -3.5988    2.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6724   -2.5846    1.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1201   -3.0272    1.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5329   -4.3156    1.2066 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3106   -4.2929   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5750   -5.6257   -0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7023   -6.6118   -0.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
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 26 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1672👍, 0💬