Molecule Editor

Molecule ID: FYI-1003195 Edit

Molecule Structure InChIKey: NKMOLEYVYVWWJC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(S)CC(=O)OCCn1c(=O)n(CCOC(=O)CC(C)S)c(=O)n(CCOC(=O)CC(C)S)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003195
FYIcenter.com

 36 36  0  0  0  0  0  0  0  0999 V2000
   15.7618   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 23 13  1  0  0  0  0
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 27 26  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 25  1  0  0  0  0
 35 10  1  0  0  0  0
 36 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003195-3D
FYIcenter.com

 69 69  0  0  1  0  0  0  0  0999 V2000
    7.0069    0.5923    0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0468    1.3567    2.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0808    1.0042    3.3891 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3813   -0.3371    3.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7077   -0.0169   -4.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$