Molecule FYI-1010834

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A

Molecule Summary:

ID: FYI-1010834
Names:
InChIKey: SDEKLJPUPCJPTQ-GQCTYLIASA-N
SMILES: CCCC(C)CCCCC/C=C/CCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010834 Edit

Molecule Structure InChIKey: SDEKLJPUPCJPTQ-GQCTYLIASA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010834
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    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
   19.3989    0.0000    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
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    1.2124    3.5000    0.0000 O   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  4  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
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 13 12  1  0  0  0  0
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 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-1010834-3D
FYIcenter.com

 60 59  0  0  1  0  0  0  0  0999 V2000
    0.9261   -0.0675   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -0.0255   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0495   -1.3319    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -1.3254    0.2815 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1504   -0.2080    1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031   -2.7118    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6268   -2.7928    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1209   -4.1654    1.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456   -4.1720    1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1705   -5.5281    1.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6654   -5.5264    1.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3870   -6.3704    0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8820   -6.3669    0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4108   -6.7895   -0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9350   -6.7950   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4688   -7.2333   -1.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9949   -7.2420   -1.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0289   -7.7039   -3.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5167   -8.1419   -4.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8086   -8.4434   -5.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8708   -8.1696   -4.7360 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8127    0.7785    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2423   -0.1656    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134   -3.4769    0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123   -2.9535    1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0382   -2.0614    1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0189   -2.5495   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7399   -4.4004    2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0124   -3.3888    1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0257   -3.9286    0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7789   -6.3076    0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3014   -7.4742    0.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3078   -5.7922   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4184   -8.4022   -2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4222   -6.7016   -3.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3169   -7.9054   -3.9107 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  6  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 60  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1603👍, 0💬