Chem
J-GLOBAL ID：200907049847407491   Nikkaji number：J2.179.033H

(S)-α,4-Dimethylbenzenemethanol 2,3,4,5,6-pentafluorobenzoate

(S)-α,4-ジメチルベンゼンメタノール2,3,4,5,6-ペンタフルオロベンゾアート
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： C16H11F5O2
Molecular formula furigana： C16-H11-F5-O2
Molecular weight： 330.254
InChI： InChI=1S/C16H11F5O2/c1-7-3-5-9(6-4-7)8(2)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h3-6,8H,1-2H3/t8-/m0/s1
InChI key： WWZARCTVHRUYIP-QMMMGPOBSA-N
SMILES： C[C@H](OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc(C)cc1
Systematic name  (3)：
  • (S)-α,4-ジメチルベンゼンメタノール2,3,4,5,6-ペンタフルオロベンゾアート
  • (1S)-1-(4-メチルフェニル)エチル 2,3,4,5,6-ペンタフルオロベンゾアート
  • (1S)-1-(4-methylphenyl)ethyl 2,3,4,5,6-pentafluorobenzoate
Other name (1)：
  • (S)-α,4-Dimethylbenzenemethanol 2,3,4,5,6-pentafluorobenzoate
Thsaurus map：
Thesaurus Map

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