Molecule FYI-1005872

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A

Molecule Summary:

ID: FYI-1005872
Names:
InChIKey: QBRBBRDIIDHKLS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CC

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005872 Edit

Molecule Structure InChIKey: QBRBBRDIIDHKLS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005872
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   29.0985    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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
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 18 17  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005872-3D
FYIcenter.com

 81 80  0  0  0  0  0  0  0  0999 V2000
    1.0669   -0.0061    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -0.0071    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050    0.8386   -1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240    0.8433   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1359    1.6875   -2.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6539    1.6899   -2.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1659    2.5328   -3.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6831    2.5341   -3.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1934    3.3786   -4.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7101    3.3783   -4.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2200    4.2210   -5.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2456    5.0664   -6.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7615    5.0688   -6.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2685    5.9151   -8.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8959    7.5264  -10.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4690    8.3597  -11.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9925    8.4184  -11.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6758    7.8275  -10.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4707    9.3036  -14.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7285    0.4449   -2.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7918    3.5598   -3.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7895    2.1344   -4.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0579    1.5075   -3.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0838    2.3511   -4.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884    3.7759   -3.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8455    5.2480   -5.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8432    3.8227   -6.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1113    3.1954   -5.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8702    6.0928   -6.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1381    4.0428   -6.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1381    5.4658   -5.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8935    6.9414   -7.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1600    4.8919   -8.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1600    6.3142   -7.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9192    7.7920   -9.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9192    6.3684  -10.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1690    5.7227   -9.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1690    7.1464   -8.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0074    8.6193  -10.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0075    7.2016  -11.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2309    6.4838  -10.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2308    7.9124   -9.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0934    9.3711  -11.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9470    9.9961  -15.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4087   10.2821  -10.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
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 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 68  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
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 27 28  1  0  0  0  0
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 27 78  1  0  0  0  0
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 28 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2257👍, 0💬