Molecule Editor

Molecule ID: FYI-1006080 Edit

Molecule Structure InChIKey: WTQYWNWRJNXDEG-UJDPBXBYSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006080
FYIcenter.com

 45 47  0     1  0  0  0  0  0999 V2000
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    5.2940    0.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8864   -1.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8060    3.0061    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.2838    1.0576    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5426    2.0235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6827    0.5488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9415    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628    0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5094    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337    0.7511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.9960    4.4091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  1  1  6  0  0  0
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 21 22  1  0  0  0  0
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 22 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006080-3D
FYIcenter.com

 45 47  0     1  0  0  0  0  0999 V2000
    2.9663   -1.9785    1.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    0.6410   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551   -0.7485    0.9004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    3.1956    0.2649 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2425    0.7053   -0.3687 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.6556    0.2552    0.9089 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7925   -0.3353   -1.3134 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9362   -1.2544    0.9281 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9560   -1.6585   -0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568    0.6167    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126   -0.0285   -1.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.0392   -0.3490 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6965    0.8334   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8717    0.1825    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1027    1.0112   -0.2513 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3663    0.1669   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$