1-(2-Methyl-4-sulfophenyl)-3-methyl-5-pyrazolone

CAS Registry Number®

118-07-0

CAS Name

1-(2-Methyl-4-sulfophenyl)-3-methyl-5-pyrazolone

Molecular Formula

C11H12N2O4S

Molecular Mass

268.29

Cite this Page

1-(2-Methyl-4-sulfophenyl)-3-methyl-5-pyrazolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118-07-0 (retrieved 2024-11-22) (CAS RN: 118-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H12N2O4S/c1-7-5-9(18(15,16)17)3-4-10(7)13-11(14)6-8(2)12-13/h3-5H,6H2,1-2H3,(H,15,16,17)

InChIKey

InChIKey=AJPUJTAMBSRTEG-UHFFFAOYSA-N

SMILES

CC1=C(C=CC(S(=O)(=O)O)=C1)N2N=C(C)CC2=O

Canonical SMILES

O=C1N(N=C(C)C1)C2=CC=C(C=C2C)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
  • m-Toluenesulfonic acid, 4-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • 4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid
  • 3-Methyl-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
  • 3-Methyl-1-(2-methyl-4-sulfophenyl)-5-pyrazolone

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