Molecule FYI-1005139

A

Molecule Summary:

ID: FYI-1005139
Names:
InChIKey: WAWYOKFANFBOIW-UHFFFAOYSA-N
SMILES: CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.O=c2[nH]ccc4c(c1ccc(F)cc1)[nH]c3cc(F)cc2c34

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005139 Edit

Molecule Structure InChIKey: WAWYOKFANFBOIW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.O=c2[nH]ccc4c(c1ccc(F)cc1)[nH]c3cc(F)cc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005139
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.3720    5.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    6.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7701    7.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    7.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 37 36  2  0  0  0  0
 37 31  1  0  0  0  0
 37 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005139-3D
FYIcenter.com

 63 67  0  0  1  0  0  0  0  0999 V2000
    0.8196   -0.1994   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7381    3.4897   -1.7695 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4115    4.7522    1.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4844    1.2093    2.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    2.0720    3.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-02, 1126👍, 0💬