Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

CAS Registry Number®

83056-32-0

CAS Name

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

Molecular Formula

C10H9NO5S

Molecular Mass

255.25

Cite this Page

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83056-32-0 (retrieved 2024-10-05) (CAS RN: 83056-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9NO5S/c1-16-10(13)9-5-3-2-4-8(9)6-17(14,15)11-7-12/h2-5H,6H2,1H3

InChIKey

InChIKey=HPFGDWSUQHUCBU-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(CS(N=C=O)(=O)=O)C=CC=C1

Canonical SMILES

O=C=NS(=O)(=O)CC=1C=CC=CC1C(=O)OC

Other Names for this Substance

  • Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester
  • Methyl 2-[(isocyanatosulfonyl)methyl]benzoate
  • 2-[(Isocyanatosulfonyl)methyl]benzoic acid methyl ester

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