Chem
J-GLOBAL ID:200907089202772820   Nikkaji number:J1.220.088I

(7R,8S)-8-(Phenylthiomethyl)-9-tetradecyne-7-ol

(7R,8S)-8-(フェニルチオメチル)-9-テトラデシン-7-オール
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: C21H32OS
Molecular formula furigana: C21-H32-O-S
Molecular weight: 332.550
InChI: InChI=1S/C21H32OS/c1-3-5-7-10-14-19(21(22)17-13-8-6-4-2)18-23-20-15-11-9-12-16-20/h9,11-12,15-16,19,21-22H,3-8,13,17-18H2,1-2H3/t19-,21-/m1/s1
InChI key: ZMSYJVXGADQWSW-TZIWHRDSSA-N
SMILES: CCCCCC[C@@H](O)[C@@H](CSc1ccccc1)C#CCCCC
Systematic name  (3):
  • (7R,8S)-8-(フェニルチオメチル)-9-テトラデシン-7-オール
  • (7R,8S)-8-[(フェニルスルファニル)メチル]テトラデカ-9-イン-7-オール
  • (7R,8S)-8-[(phenylsulfanyl)methyl]tetradec-9-yn-7-ol
Other name (1):
  • (7R,8S)-8-(Phenylthiomethyl)-9-tetradecyne-7-ol
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