1,4-Benzenedisulfonic acid, 2-[4-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2)

CAS Registry Number®

72139-22-1

CAS Name

1,4-Benzenedisulfonic acid, 2-[4-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2)

Molecular Formula

C20H14ClF2N7O7S2.2Na

Cite this Page

1,4-Benzenedisulfonic acid, 2-[4-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72139-22-1 (retrieved 2024-11-29) (CAS RN: 72139-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H14ClF2N7O7S2.2Na/c1-9-16(19(31)30(29-9)13-8-12(38(32,33)34)6-7-14(13)39(35,36)37)28-27-11-4-2-10(3-5-11)24-18-15(21)17(22)25-20(23)26-18;;/h2-8,16H,1H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;

InChIKey

InChIKey=UWYSQIDDVOXYBG-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C(C=C(S(=O)(=O)O)C=C1)N2C(=O)C(N=NC3=CC=C(NC=4C(Cl)=C(F)N=C(F)N4)C=C3)C(C)=N2.[Na]

Canonical SMILES

[Na].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)NC=3N=C(F)N=C(F)C3Cl)C4=CC(=CC=C4S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance

  • 1,4-Benzenedisulfonic acid, 2-[4-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2)
  • 1,4-Benzenedisulfonic acid, 2-[4-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt

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