Molecule Editor

Molecule ID: FYI-1007418 Edit

Molecule Structure InChIKey: DLXOPXXAQDKHCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CCc2cccc(COc1ccccc1)c2)(C(=O)C(=O)O)C(CS(O)(O)CN)C(O)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007418
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    6.2497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8248   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
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 32 33  2  0  0  0  0
 32 35  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007418-3D
FYIcenter.com

 70 71  0  0  1  0  0  0  0  0999 V2000
    1.0616    0.5670   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    0.3107    0.0218 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9319   -0.5667   -1.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8503   -0.0333   -2.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002    0.2538   -3.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4008    1.6055   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    1.7004   -0.7089 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$