Phenyl 2-methyl-5-nitrobenzenesulfonate

CAS Registry Number®

85896-03-3
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CAS Name

Phenyl 2-methyl-5-nitrobenzenesulfonate

Molecular Formula

C13H11NO5S

Molecular Mass

293.30

Cite this Page

Phenyl 2-methyl-5-nitrobenzenesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85896-03-3 (retrieved 2024-09-07) (CAS RN: 85896-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H11NO5S/c1-10-7-8-11(14(15)16)9-13(10)20(17,18)19-12-5-3-2-4-6-12/h2-9H,1H3

InChIKey

InChIKey=DUEHZNNBLUTVHR-UHFFFAOYSA-N

SMILES

S(OC1=CC=CC=C1)(=O)(=O)C2=CC(N(=O)=O)=CC=C2C

Canonical SMILES

O=N(=O)C1=CC=C(C(=C1)S(=O)(=O)OC=2C=CC=CC2)C

Other Names for this Substance

  • Benzenesulfonic acid, 2-methyl-5-nitro-, phenyl ester
  • Phenyl 2-methyl-5-nitrobenzenesulfonate
  • Phenyl 4-nitrotoluene-2-sulfonate