Molecule Editor

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
    2.4329    8.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    3.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    2.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    4.9163    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    5.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    4.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614    4.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    2.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    5.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    7.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 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
   -0.0268    1.4422    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.5819    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878    0.6248    0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0376    2.0281   -0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1803    1.7288   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737    1.7856    1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -1.9334    2.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057   -2.7504   -1.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469   -1.3875   -0.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8817    1.1455    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8547    2.9573    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4741    2.2496   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    2.7149    2.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979   -1.3268    3.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6739    0.4059   -1.6235 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
$$$$