Chem
J-GLOBAL ID：201007027301615899   Nikkaji number：J2.784.128G

p-Toluenesulfonic acid (1S,2R)-1-propyl-2-[(trifluoromethyl)thio]pentyl ester

p-トルエンスルホン酸(1S,2R)-1-プロピル-2-[(トリフルオロメチル)チオ]ペンチル
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： C16H23F3O3S2
Molecular formula furigana： C16-H23-F3-O3-S2
Molecular weight： 384.470
InChI： InChI=1S/C16H23F3O3S2/c1-4-6-14(15(7-5-2)23-16(17,18)19)22-24(20,21)13-10-8-12(3)9-11-13/h8-11,14-15H,4-7H2,1-3H3/t14-,15+/m0/s1
InChI key： HXNWMLQUVQXOHL-LSDHHAIUSA-N
SMILES： CCC[C@H](OS(=O)(=O)c1ccc(C)cc1)[C@@H](CCC)SC(F)(F)F
Systematic name  (3)：
  • p-トルエンスルホン酸(1S,2R)-1-プロピル-2-[(トリフルオロメチル)チオ]ペンチル
  • (4S,5R)-5-[(トリフルオロメチル)スルファニル]オクタン-4-イル 4-メチルベンゼン-1-スルホナート
  • (4S,5R)-5-[(trifluoromethyl)sulfanyl]octan-4-yl 4-methylbenzene-1-sulfonate
Other name (1)：
  • p-Toluenesulfonic acid (1S,2R)-1-propyl-2-[(trifluoromethyl)thio]pentyl ester
Thsaurus map：
Thesaurus Map

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