Chem
J-GLOBAL ID：200907067636096617
Nikkaji number：J1.712.575C
(3R)-3-Hydroxy-3-(4-methoxyphenyl)propanethioic acid S-ethyl ester
(3R)-3-ヒドロキシ-3-(4-メトキシフェニル)プロパンチオ酸S-エチル
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： C12H16O3S
Molecular formula furigana： C12-H16-O3-S
Molecular weight： 240.320
InChI：
InChI=1S/C12H16O3S/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3/t11-/m1/s1
InChI key：
BPPYCGDZXSQSIO-LLVKDONJSA-N
SMILES：
CCSC(=O)C[C@@H](O)c1ccc(OC)cc1
Systematic name (3)：
- (3R)-3-ヒドロキシ-3-(4-メトキシフェニル)プロパンチオ酸S-エチル
- (3R)-1-(エチルスルファニル)-3-ヒドロキシ-3-(4-メトキシフェニル)プロパン-1-オン
- (3R)-1-(ethylsulfanyl)-3-hydroxy-3-(4-methoxyphenyl)propan-1-one
- (3R)-3-Hydroxy-3-(4-methoxyphenyl)propanethioic acid S-ethyl ester
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