Chem
J-GLOBAL ID：200907004055926900   Nikkaji number：J1.742.889F

2-(α-Hydroxy-4-methylbenzyl)-3-(1,3-dioxane-2-yl)-4H-1-benzothiopyran-4-one

3-(1,3-ジオキサン-2-イル)-2-[ヒドロキシ(4-メチルフェニル)メチル]-4H-チオクロメン-4-オン
Substance type：
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
Molecular formula： C21H20O4S
Molecular formula furigana： C21-H20-O4-S
Molecular weight： 368.450
InChI： InChI=1S/C21H20O4S/c1-13-7-9-14(10-8-13)18(22)20-17(21-24-11-4-12-25-21)19(23)15-5-2-3-6-16(15)26-20/h2-3,5-10,18,21-22H,4,11-12H2,1H3
InChI key： CUKBCHDNTXEKMY-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C(O)c1sc2ccccc2c(=O)c1C1OCCCO1
Systematic name  (3)：
  • 2-(α-ヒドロキシ-4-メチルベンジル)-3-(1,3-ジオキサン-2-イル)-4H-1-ベンゾチオピラン-4-オン
  • 3-(1,3-ジオキサン-2-イル)-2-[ヒドロキシ(4-メチルフェニル)メチル]-4H-チオクロメン-4-オン
  • 3-(1,3-dioxan-2-yl)-2-[hydroxy(4-methylphenyl)methyl]-4H-thiochromen-4-one
Other name (1)：
  • 2-(α-Hydroxy-4-methylbenzyl)-3-(1,3-dioxane-2-yl)-4H-1-benzothiopyran-4-one
Thsaurus map：
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