Molecule Editor

Molecule ID: FYI-1014342 Edit

Molecule Structure InChIKey: MYHXHCUNDDAEOZ-BMZFSJBMSA-N

Molecule Structure SMILES String: CCCCCC(O)/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014342
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   11.9152    5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6407    5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    2.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1098    2.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    3.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8132    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8535    1.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1851    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2254    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9343    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5569    1.8019    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
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  7  6  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014342-3D
FYIcenter.com

 54 54  0     1  0  0  0  0  0999 V2000
    2.7025    0.4376    2.9180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952    1.9495   -1.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3515    1.6663   -1.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1259    0.1922   -2.6766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410   -0.0475    1.5654 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2512    0.7425    0.3359 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1208   -1.4824    1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430    0.7506    2.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366    1.9561    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.0965    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$