Molecule FYI-1014044

A

Molecule Summary:

ID: FYI-1014044
Names:
InChIKey: KYWYWXYFYMSEPI-QZQOTICOSA-N
SMILES: CCOC(OCC)(C(O)/C=C/c1ccccc1)P(=O)(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2025-02-22

Molecule ID: FYI-1014044 Edit

Molecule Structure InChIKey: KYWYWXYFYMSEPI-QZQOTICOSA-N

Molecule Structure SMILES String: CCOC(OCC)(C(O)/C=C/c1ccccc1)P(=O)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014044
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0824    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824    3.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    4.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    3.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453    4.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    5.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    6.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    7.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    8.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    9.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   10.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    9.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2164    3.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2164    7.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653    4.9163    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  2  0  0  0  0
  8  7  1  0  0  0  0
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 10  9  1  0  0  0  0
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 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
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 15  4  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
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 23 22  2  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014044-3D
FYIcenter.com

 60 62  0     1  0  0  0  0  0999 V2000
   -1.0763    0.2473   -0.6918 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -0.9756    1.5856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810   -2.0204   -0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016   -0.0236   -2.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2155   -3.4755    0.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0261   -1.3867    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032   -2.2559   -0.1733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7370    0.9165   -0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5260   -1.5819    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8547    2.9573    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5434    2.7149    2.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 60  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1322👍, 0💬