Molecule FYI-1011448

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A

Molecule Summary:

ID: FYI-1011448
Names:
InChIKey: LYRFLYHAGKPMFH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(N)=O

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

Molecule ID: FYI-1011448 Edit

Molecule Structure InChIKey: LYRFLYHAGKPMFH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011448
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    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 N   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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011448-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    0.8944   -0.0429   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094   -0.0429   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294    0.8880   -1.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4480    0.8921   -1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    1.8217   -2.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4765    1.8257   -2.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9870    2.7531   -3.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037    2.7579   -3.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0139    3.6836   -4.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5305    3.6868   -4.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0406    4.6125   -5.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5576    4.6161   -5.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0665    5.5426   -6.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833    5.5493   -6.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0964    6.4776   -7.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6171    6.4779   -7.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1786    7.3976   -8.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6930    7.3945   -8.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2985    8.1888   -9.6692 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3819    6.7337   -7.9598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191   -0.7114    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5054   -0.3811   -0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5102    0.9641    0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -1.0605   -0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833    0.2789    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    1.9060   -0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    0.5667   -2.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8239   -0.1237   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8262    1.2181   -0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    2.8385   -2.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    1.4964   -3.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524    0.8093   -2.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8523    2.1532   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6107    3.7696   -3.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6129    2.4251   -4.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8803    1.7414   -3.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8780    3.0874   -2.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6385    4.7005   -4.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6386    3.3550   -5.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.6700   -4.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    4.0154   -3.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6651    5.6293   -5.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6651    4.2838   -6.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9328    3.5991   -5.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9328    4.9445   -4.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6900    6.5588   -6.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6900    5.2129   -7.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9583    4.5316   -6.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9583    5.8759   -5.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7186    7.4933   -7.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7186    6.1467   -8.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9758    5.4519   -7.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9758    6.7953   -6.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8251    8.4206   -8.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8251    7.0655   -9.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8102    8.7589  -10.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3102    8.1953   -9.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1771👍, 0💬