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

CAS Registry Number®

68957-71-1
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CAS Name

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

Molecular Formula

C18H16N4O9S2

Molecular Mass

496.47

Cite this Page

2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68957-71-1 (retrieved 2024-09-16) (CAS RN: 68957-71-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,16H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)

InChIKey

InChIKey=IWRNXXGBYMSDNZ-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C)C1N=NC2=C(C(O)=O)C=CC(S(=O)(=O)O)=C2)C3=C(C)C=C(S(=O)(=O)O)C=C3

Canonical SMILES

O=C(O)C1=CC=C(C=C1N=NC2C(=O)N(N=C2C)C3=CC=C(C=C3C)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance

  • Benzoic acid, 2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfo-
  • Benzoic acid, 2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfo-
  • 2-[2-[4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid

Deleted or Replaced CAS Registry Numbers

68400-28-2, 827018-86-0