Molecule Editor

Molecule ID: FYI-1010891 Edit

Molecule Structure InChIKey: IJPKWZQBHXLBPJ-QHCPKHFHSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)C3=C2c1coc(C)cc1=CC(=O)[C@]2(C)OC3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010891
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
   16.6464    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4338    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2214    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7966    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9469    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5220    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8104    4.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    5.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3146    6.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    6.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    4.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    8.2246    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 12  1  0  0  0  0
 26 25  2  0  0  0  0
 23 27  1  6  0  0  0
 28 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010891-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
   -3.5354    1.8384    0.2981 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893   -2.5421    0.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1505   -0.2765   -0.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700    1.0100   -1.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720    3.6927   -0.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820    0.5028    0.6390 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7677    0.3834    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028    1.5539   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264   -0.9598    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0231   -0.5246   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408    2.4243    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0778    3.3228   -0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5517    3.2553   -0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1237   -2.0977   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4444   -1.8949   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6334    0.1144    1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9984   -0.5610   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$