Chem
J-GLOBAL ID：200907067542466194   Nikkaji number：J338.367I

3-Hydroxy-2-(phenylthio)-3-heptylpropanenitrile

3-ヒドロキシ-2-(フェニルスルファニル)デカンニトリル
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： C16H23NOS
Molecular formula furigana： C16-H23-N-O-S
Molecular weight： 277.430
InChI： InChI=1S/C16H23NOS/c1-2-3-4-5-9-12-15(18)16(13-17)19-14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,2-5,9,12H2,1H3
InChI key： XZMUDFXXFQBYTR-UHFFFAOYSA-N
SMILES： CCCCCCCC(O)C(Sc1ccccc1)C#N
Systematic name  (3)：
  • 3-ヒドロキシ-2-(フェニルチオ)-3-ヘプチルプロパンニトリル
  • 3-ヒドロキシ-2-(フェニルスルファニル)デカンニトリル
  • 3-hydroxy-2-(phenylsulfanyl)decanenitrile
Other name (1)：
  • 3-Hydroxy-2-(phenylthio)-3-heptylpropanenitrile
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