Benzenesulfonic acid, 2,4,6-trimethyl-, hydrate (1:1)

CAS Registry Number®

79326-99-1
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CAS Name

Benzenesulfonic acid, 2,4,6-trimethyl-, hydrate (1:1)

Molecular Formula

C9H12O3S.H2O

Cite this Page

Benzenesulfonic acid, 2,4,6-trimethyl-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79326-99-1 (retrieved 2024-08-07) (CAS RN: 79326-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H12O3S.H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;/h4-5H,1-3H3,(H,10,11,12);1H2

InChIKey

InChIKey=XNOZTDZTNOUJFT-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C(C)C=C(C)C=C1C.O

Canonical SMILES

O=S(=O)(O)C=1C(=CC(=CC1C)C)C.O

Other Names for this Substance

  • Benzenesulfonic acid, 2,4,6-trimethyl-, hydrate (1:1)
  • Benzenesulfonic acid, 2,4,6-trimethyl-, monohydrate
  • Mesitylenesulfonic acid monohydrate