Methyl 5-bromo-2-(1,1-dioxido-2-isothiazolidinyl)benzoate

CAS Registry Number®

1373232-33-7

CAS Name

Methyl 5-bromo-2-(1,1-dioxido-2-isothiazolidinyl)benzoate

Molecular Formula

C11H12BrNO4S

Molecular Mass

334.19

Cite this Page

Methyl 5-bromo-2-(1,1-dioxido-2-isothiazolidinyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1373232-33-7 (retrieved 2024-10-07) (CAS RN: 1373232-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H12BrNO4S/c1-17-11(14)9-7-8(12)3-4-10(9)13-5-2-6-18(13,15)16/h3-4,7H,2,5-6H2,1H3

InChIKey

InChIKey=AQCHBRZNYNSWAZ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(C=CC(Br)=C1)N2S(=O)(=O)CCC2

Canonical SMILES

O=C(OC)C1=CC(Br)=CC=C1N2CCCS2(=O)=O

Other Names for this Substance

  • Benzoic acid, 5-bromo-2-(1,1-dioxido-2-isothiazolidinyl)-, methyl ester
  • Methyl 5-bromo-2-(1,1-dioxido-2-isothiazolidinyl)benzoate

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox