Phenol, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-, 1-(4-methylbenzenesulfonate)

CAS Registry Number®

338416-37-8
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CAS Name

Phenol, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-, 1-(4-methylbenzenesulfonate)

Molecular Formula

C20H15ClF3NO3S

Molecular Mass

441.85

Cite this Page

Phenol, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-, 1-(4-methylbenzenesulfonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=338416-37-8 (retrieved 2024-08-24) (CAS RN: 338416-37-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H15ClF3NO3S/c1-13-2-8-17(9-3-13)29(26,27)28-16-6-4-14(5-7-16)10-19-18(21)11-15(12-25-19)20(22,23)24/h2-9,11-12H,10H2,1H3

InChIKey

InChIKey=JRSGPPPZZCZUID-UHFFFAOYSA-N

SMILES

C(C1=C(Cl)C=C(C(F)(F)F)C=N1)C2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2

Canonical SMILES

O=S(=O)(OC1=CC=C(C=C1)CC2=NC=C(C=C2Cl)C(F)(F)F)C3=CC=C(C=C3)C

Other Names for this Substance

  • Phenol, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-, 1-(4-methylbenzenesulfonate)
  • Phenol, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-, 4-methylbenzenesulfonate (ester)