Molecule FYI-1003859

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A

Molecule Summary:

ID: FYI-1003859
Names:
InChIKey: BBNYCLAREVXOSG-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CO)CO

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003859 Edit

Molecule Structure InChIKey: BBNYCLAREVXOSG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OC(CO)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003859
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   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
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  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
 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
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 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003859-3D
FYIcenter.com

 61 60  0  0  0  0  0  0  0  0999 V2000
    0.8862    0.0124   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4044    0.0107   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356   -0.0775   -1.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4595   -0.0792   -1.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9785   -0.1678   -2.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004   -0.1689   -2.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0178   -0.2588   -4.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5395   -0.2598   -4.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0574   -0.3486   -5.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5790   -0.3503   -5.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0897   -0.4391   -7.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6105   -0.4427   -7.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1222   -0.5297   -8.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6436   -0.5338   -8.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2157   -0.6252  -10.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7202   -0.6251  -10.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3800   -0.5497   -9.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5324    0.0620  -11.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6756   -0.8066  -10.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7782   -2.0173  -11.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7652    0.4243  -12.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7196    1.2674  -13.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6032    0.6805   -3.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6027   -1.0815   -3.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -1.0169   -2.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    0.7453   -2.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6424    0.5894   -4.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -1.1726   -4.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9146   -1.1086   -3.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9159    0.6537   -3.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6812    0.4996   -6.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7493    0.3247   -9.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0132   -1.3783   -8.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4705    0.9946  -10.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6273   -0.2769  -11.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8146   -0.4674  -13.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7080    0.9710  -13.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9288    0.7160  -13.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 61  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2427👍, 0💬