Molecule FYI-1009860

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A

Molecule Summary:

ID: FYI-1009860
Names:
InChIKey: QYDYPVFESGNLHU-KHPPLWFESA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009860 Edit

Molecule Structure InChIKey: QYDYPVFESGNLHU-KHPPLWFESA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009860
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   18.1865   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    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
    2.4249    0.0000    0.0000 O   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    1.4000    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  2  0  0  0  0
 11 10  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  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009860-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    0.9704    0.1032    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894    0.0951    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229   -1.0768   -0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5418   -1.0956   -0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0441   -2.2760   -1.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645   -2.3042   -1.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0670   -3.4825   -2.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5870   -3.4807   -2.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1603   -4.5866   -3.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4783   -4.7578   -3.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5527   -3.9048   -2.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4208   -4.6889   -1.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2025   -5.7990   -2.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1026   -6.5391   -1.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8575   -7.6526   -2.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5345   -9.5154   -1.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4097  -10.2154   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1038  -11.2134   -1.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9618  -11.9285   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9223   -0.1589   -1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -2.2045   -2.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2138   -1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505   -2.3771   -0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -1.3665   -2.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6880   -3.4087   -3.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906   -4.4238   -1.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9458   -3.5735   -1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9365   -2.5202   -2.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747   -5.2762   -3.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.5766   -4.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1294   -3.0494   -2.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732   -3.4845   -3.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7983   -5.1114   -1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1219   -3.9945   -1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5144   -6.5212   -2.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8135   -5.8392   -1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4599   -7.2272   -3.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1439   -8.3499   -2.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1389   -8.8103   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4779  -12.7036   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3733  -12.4083    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7093  -11.2544   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  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
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1129👍, 0💬