Molecule FYI-1003637

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A

Molecule Summary:

ID: FYI-1003637
Names:
InChIKey: XSXIVVZCUAHUJO-AVQMFFATSA-N
SMILES: CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003637 Edit

Molecule Structure InChIKey: XSXIVVZCUAHUJO-AVQMFFATSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003637
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
    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 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
 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  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003637-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    9.4915    0.6106    9.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0067   -0.4271    8.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4822   -0.0795    6.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982   -1.1211    5.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744   -0.7665    4.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0036   -1.7819    3.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8518   -2.5087    2.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3893   -3.5283    1.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9085   -4.8907    2.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6824   -5.5925    1.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975   -6.9533    1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7179   -6.9668    1.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2319   -8.3555    2.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7515   -8.3635    2.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2653   -9.7504    2.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7850   -9.7604    2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2972  -11.1525    2.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8169  -11.1715    2.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3673  -12.5568    3.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8812  -12.5197    3.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5389  -11.5063    2.8437 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4948  -13.6793    3.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1494    0.3596   10.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1072    1.6019    9.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5851    0.6565    9.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9117   -0.4742    8.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3833   -1.4156    8.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5780   -0.0277    6.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1062    0.9110    6.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9026   -1.1722    6.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3764   -2.1105    6.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5699   -0.7107    4.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0935    0.2211    4.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9304   -1.9293    3.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9235   -2.3545    2.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262   -3.2303    0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   -3.5613    1.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6357   -5.3232    3.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9584   -5.1672    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8217   -7.6778    0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8285   -7.2597    2.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992   -6.2403    2.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0997   -6.6707    0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591   -9.0870    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8568   -8.6580    3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8864  -10.0522    3.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1564   -9.0295    3.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1611   -9.4552    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9197  -11.8753    2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9150  -11.4489    3.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1842  -10.4327    3.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1889  -10.8571    1.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0203  -13.2844    2.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0155  -12.8539    4.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9169  -14.4428    3.5716 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 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 57  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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2023-07-29, 3376👍, 0💬