Chem
J-GLOBAL ID：200907002940880273
Nikkaji number：J1.633.860E
3-(4-Chlorobenzyl)-4H-1-benzothiopyran-4-one
3-(4-クロロベンジル)-4H-1-ベンゾチオピラン-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： C16H11ClOS
Molecular formula furigana： C16-H11-CL-O-S
Molecular weight： 286.770
InChI：
InChI=1S/C16H11ClOS/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,10H,9H2
InChI key：
YHXYWBYRCKJXDS-UHFFFAOYSA-N
SMILES：
Clc1ccc(Cc2csc3ccccc3c2=O)cc1
Systematic name (3)：
- 3-(4-クロロベンジル)-4H-1-ベンゾチオピラン-4-オン
- 3-[(4-クロロフェニル)メチル]-4H-チオクロメン-4-オン
- 3-[(4-chlorophenyl)methyl]-4H-thiochromen-4-one
- 3-(4-Chlorobenzyl)-4H-1-benzothiopyran-4-one
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