Molecule FYI-1010997

A

Molecule Summary:

ID: FYI-1010997
Names:
InChIKey: LGEQQWMQCRIYKG-CGRWFSSPSA-N
SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCO

Received at FYIcenter.com on: 2024-07-23

Molecule ID: FYI-1010997 Edit

Molecule Structure InChIKey: LGEQQWMQCRIYKG-CGRWFSSPSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1010997
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    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
   14.5493    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    0.0000    1.4000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  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-1010997-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    1.3914    5.1126    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115    5.1134    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4529    4.2608   -1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9807    4.2581   -1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5087    3.4019   -2.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0069    3.4069   -2.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296    3.8660   -3.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2265    3.8982   -3.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7640    3.0740   -4.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5255    3.5687   -5.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    2.7448   -6.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5549    2.7666   -6.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2717    3.2108   -7.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7689    3.2184   -7.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2928    4.6120   -7.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0815    5.2208   -6.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6454    6.5975   -7.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1727    6.5942   -7.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7800    5.7621   -8.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2929    5.8001   -8.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9243    6.3927   -7.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9037    5.0950   -9.2175 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3542    5.0675   -9.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2812    4.7298    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3602    3.8744   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1644    2.3673   -2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5106    3.0148   -1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2209    4.2588   -4.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 62  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1597👍, 0💬