Chem
J-GLOBAL ID：200907004571001271
Nikkaji number：J948.332B
(1β,2α,4α,5β)-3-Thiatricyclo[3.2.1.02,4]octane3-oxide
(1β,2α,4α,5β)-3-チアトリシクロ[3.2.1.02,4]オクタン3-オキシド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C7H10[O-][S+]
Molecular formula furigana： C7-H10-O-S
Molecular weight： 142.220
InChI：
InChI=1S/C7H10OS/c8-9-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4-,5+,6+,7-,9?
InChI key：
MDMYYPYZJFRFKZ-NVHLEPCISA-N
SMILES：
[O-][S+]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1
Systematic name (3)：
- (1β,2α,4α,5β)-3-チアトリシクロ[3.2.1.02,4]オクタン3-オキシド
- (1R,2S,4R,5S)-3-チアトリシクロ[3.2.1.02,4]オクタン-3-イウム-3-オラート
- (1R,2S,4R,5S)-3-thiatricyclo[3.2.1.02,4]octan-3-ium-3-olate
- (1β,2α,4α,5β)-3-Thiatricyclo[3.2.1.02,4]octane3-oxide
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