Molecule FYI-1013010

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A

Molecule Summary:

ID: FYI-1013010
Names:
InChIKey: NBKJIDQTILVPCI-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013010 Edit

Molecule Structure InChIKey: NBKJIDQTILVPCI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1013010
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   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 O   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
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   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
    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  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  2  0  0  0  0
 12 10  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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013010-3D
FYIcenter.com

 74 73  0  0  0  0  0  0  0  0999 V2000
   19.0577   14.3446    3.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9712   13.9183    2.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5635   12.4637    3.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4706   12.0340    2.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0702   10.5768    2.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9814   10.1426    1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792    8.6873    1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4709    8.2587    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0580    6.8033    0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4488    6.5884    2.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4701    7.1927    2.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1620    5.6660    2.9250 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443    5.4625    4.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    6.6084    5.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6252    6.6141    5.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1671    7.6648    6.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8026    7.5449    7.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2841    6.2983    8.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7692    6.0221    9.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2785    4.6613    9.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8263    4.4207   11.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2958    3.1671   11.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8009    2.9842   13.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2590    1.7300   13.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9193   -1.5203   18.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4946   -1.4809   18.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6005    8.9134    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9224    6.1442    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6568    5.3302    4.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8553    7.5787    4.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8508    8.6341    5.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6723    6.0169    9.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0913    6.7985   10.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3743    4.6408    9.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 39  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 29 72  1  0  0  0  0
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 30 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-11-23, 173👍, 0💬