5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid

CAS Registry Number®

6201-75-8

CAS Name

5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid

Molecular Formula

C17H14N2O9S2

Molecular Mass

454.43

Cite this Page

5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6201-75-8 (retrieved 2025-01-03) (CAS RN: 6201-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H14N2O9S2/c1-9-6-16(21)19(18-9)13-8-11(30(26,27)28)3-5-15(13)29(24,25)10-2-4-14(20)12(7-10)17(22)23/h2-5,7-8,20H,6H2,1H3,(H,22,23)(H,26,27,28)

InChIKey

InChIKey=SQFSKKWFISMBPH-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=C(C=C(S(=O)(=O)O)C=C1)N2C(=O)CC(C)=N2)C3=CC(C(O)=O)=C(O)C=C3

Canonical SMILES

O=C(O)C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2N3N=C(C)CC3=O)S(=O)(=O)O

Other Names for this Substance

  • Benzoic acid, 5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxy-
  • Salicylic acid, 5-[[2-(3-methyl-5-oxo-2-pyrazolin-1-yl)-4-sulfophenyl]sulfonyl]-
  • 5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid

CAS INSIGHTSTM
A collage showcasing diverse technology, including gadgets, devices, and innovative tools in a vibrant arrangement.