2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate

CAS Registry Number®

1171919-29-1

CAS Name

2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate

Molecular Formula

C13H6Cl3NO3S

Molecular Mass

362.62

Cite this Page

2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1171919-29-1 (retrieved 2024-11-24) (CAS RN: 1171919-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H6Cl3NO3S/c14-9-5-10(15)13(11(16)6-9)20-21(18,19)12-4-2-1-3-8(12)7-17/h1-6H

InChIKey

InChIKey=XKBVDFYANWSZLM-UHFFFAOYSA-N

SMILES

S(OC1=C(Cl)C=C(Cl)C=C1Cl)(=O)(=O)C2=C(C#N)C=CC=C2

Canonical SMILES

N#CC=1C=CC=CC1S(=O)(=O)OC=2C(Cl)=CC(Cl)=CC2Cl

Other Names for this Substance

  • Benzenesulfonic acid, 2-cyano-, 2,4,6-trichlorophenyl ester
  • 2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate

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