Chem
J-GLOBAL ID:200907017240704781   Nikkaji number:J2.187.015C

2-Methyl-3-hydroxy-5-phenylpentanethioic acid S-phenyl ester

2-メチル-3-ヒドロキシ-5-フェニルペンタンチオ酸S-フェニル
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: C18H20O2S
Molecular formula furigana: C18-H20-O2-S
Molecular weight: 300.420
InChI: InChI=1S/C18H20O2S/c1-14(18(20)21-16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,14,17,19H,12-13H2,1H3
InChI key: NGYKJHHMBVRVNS-UHFFFAOYSA-N
SMILES: CC(C(O)CCc1ccccc1)C(=O)Sc1ccccc1
Systematic name  (3):
  • 2-メチル-3-ヒドロキシ-5-フェニルペンタンチオ酸S-フェニル
  • 3-ヒドロキシ-2-メチル-5-フェニル-1-(フェニルスルファニル)ペンタン-1-オン
  • 3-hydroxy-2-methyl-5-phenyl-1-(phenylsulfanyl)pentan-1-one
Other name (1):
  • 2-Methyl-3-hydroxy-5-phenylpentanethioic acid S-phenyl ester
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