Molecule Editor

Molecule ID: FYI-1006926 Edit

Molecule Structure InChIKey: PANKHBYNKQNAHN-MQQNZMFNSA-N

Molecule Structure SMILES String: C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C(=O)O)/C=C/C=C(C)/C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006926
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 17  2  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  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-1006926-3D
FYIcenter.com

 48 47  0     0  0  0  0  0  0999 V2000
    8.9186   -1.1992   -0.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2152    2.2161   -0.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0636    0.7058   -0.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2923    0.1349    0.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7050    0.0864    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -1.8969    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431   -0.7335    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377   -1.0547    0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0927   -0.3171   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5800   -1.5642    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367   -0.4364    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -1.3488    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566    1.5128    0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490   -3.3330   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1809    0.4593    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1452   -0.4020   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6711    0.7307    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.1743    2.2513   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$