Molecule FYI-1016846

A

Molecule Summary:

ID: FYI-1016846
Names:
InChIKey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC

Received at FYIcenter.com on: 2026-03-30

Molecule ID: FYI-1016846 Edit

Molecule Structure InChIKey: GTVWRXDRKAHEAD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016846
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
   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
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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
    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 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  5  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
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 13 12  1  0  0  0  0
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 17 14  1  0  0  0  0
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 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 23  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016846-3D
FYIcenter.com

 80 79  0  0  1  0  0  0  0  0999 V2000
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    5.5987    1.5260   -5.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8027    2.1885   -4.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0582    3.4662   -2.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5182    3.4662   -2.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2037    2.6228   -1.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5832    6.7099    1.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7954    3.2604    0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2179   -0.9387    1.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5166   -0.5367   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0215    0.3666    1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145   -1.1343    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2779    0.4216   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6504    0.6104    0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2077    0.0420    2.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9608    1.7521    2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    1.7083    4.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    2.7754    3.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2714    3.5286    3.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8582    4.0902    4.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0554    4.5579    3.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0030    2.9063   -3.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 37  1  0  0  0  0
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  5  8  1  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2026-04-13, 558👍, 0💬