Chem
J-GLOBAL ID：200907010791566083
Nikkaji number：J1.794.105D
3-(1-Hydroxy-3-phenylpropyl)-4H-1-benzothiopyran-4-one
3-(1-ヒドロキシ-3-フェニルプロピル)-4H-チオクロメン-4-オン
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： C18H16O2S
Molecular formula furigana： C18-H16-O2-S
Molecular weight： 296.380
InChI：
InChI=1S/C18H16O2S/c19-16(11-10-13-6-2-1-3-7-13)15-12-21-17-9-5-4-8-14(17)18(15)20/h1-9,12,16,19H,10-11H2
InChI key：
HOAWFPFFPUTFCV-UHFFFAOYSA-N
SMILES：
OC(CCc1ccccc1)c1csc2ccccc2c1=O
Systematic name (3)：
- 3-(1-ヒドロキシ-3-フェニルプロピル)-4H-1-ベンゾチオピラン-4-オン
- 3-(1-ヒドロキシ-3-フェニルプロピル)-4H-チオクロメン-4-オン
- 3-(1-hydroxy-3-phenylpropyl)-4H-thiochromen-4-one
- 3-(1-Hydroxy-3-phenylpropyl)-4H-1-benzothiopyran-4-one
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