Molecule FYI-1003824

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A

Molecule Summary:

ID: FYI-1003824
Names:
InChIKey: FMMOOAYVCKXGMF-MVKOLZDDSA-N
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2023-07-28

Molecule ID: FYI-1003824 Edit

Molecule Structure InChIKey: FMMOOAYVCKXGMF-MVKOLZDDSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003824
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    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
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
  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
 10  9  2  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
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003824-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    9.3756   -9.0901    2.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8976   -8.3045    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3608   -6.8504    1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8805   -6.0550    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3463   -4.6008    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8747   -3.8141   -1.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7008   -3.2048   -1.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2332   -2.4144   -3.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7589   -3.0009   -4.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5367   -2.3329   -5.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0537   -2.9222   -6.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5798   -2.9384   -6.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1061   -3.5440   -7.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6308   -3.5586   -7.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1666   -4.1680   -9.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2690   -4.7947  -10.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7714   -4.6764  -10.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4438   -4.1978   -9.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2522   -5.1054  -11.6333 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5848   -4.6726  -11.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4889   -3.3212  -12.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9838   -8.6585    3.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4559   -6.8155    1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9800   -6.3851    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7853   -6.0929   -0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2639   -6.5180   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4392   -4.5672    0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460   -4.1326    1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7981   -3.7438   -1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7766   -3.2670   -1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5641   -1.3766   -3.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1382   -2.3947   -3.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4700   -4.0283   -4.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8195   -1.3034   -5.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6802   -2.3213   -7.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6717   -3.9409   -6.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8095   -3.5906  -10.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7911   -5.1931   -9.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0504   -4.7350   -8.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0568   -3.1485   -9.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9891   -5.8496  -10.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2181   -4.6262  -11.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8840   -3.4010  -13.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4787   -2.9392  -12.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9877   -2.5917  -11.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  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  2  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 40  1  0  0  0  0
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 14 47  1  0  0  0  0
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 16 17  1  0  0  0  0
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 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2534👍, 0💬