Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl ester

CAS Registry Number®

3899-90-9

CAS Name

Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl ester

Molecular Formula

C13H11NO5S

Molecular Mass

293.30

Cite this Page

Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3899-90-9 (retrieved 2024-11-21) (CAS RN: 3899-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112-113 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QRMMIQVSVATYQP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=CC=C(OS(=O)(=O)C2=CC=C(C=C2)C)C1

Other Names for this Substance

  • Benzenesulfonic acid, 4-methyl-, 3-nitrophenyl ester
  • p-Toluenesulfonic acid, m-nitrophenyl ester
  • m-Nitrophenyl tosylate
  • 3-Nitrophenyl tosylate
  • NSC 6905

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