Molecule Editor

Molecule ID: FYI-1015674 Edit

Molecule Structure InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015674
FYIcenter.com

 51 50  0  0  0  0  0  0  0  0999 V2000
   20.6117    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1868    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8241    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3117    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6992    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0992    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8868    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4868    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2743    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4619    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0619    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3374    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
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 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015674-3D
FYIcenter.com

 51 50  0     0  0  0  0  0  0999 V2000
   10.0552   -0.4067   -0.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337   -0.3800    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301    0.4825    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286    0.4372    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5251   -0.3373    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933   -0.4239    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8256    0.4694    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517    0.4435    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140   -0.3550   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.4135    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4176    0.4492   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759    0.4510   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6724   -0.4264   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9118    0.4353   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1889   -0.4420   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -0.9852    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0178   -1.0812   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.1557    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    1.1170   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666    1.1075    1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073    1.0757   -0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5540   -0.9694    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
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 17 50  1  0  0  0  0
M  END
$$$$