Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt

CAS Name

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

Molecular Formula

C₂₀H₁₂Cl₃F₂N₇O₇S₂.2Na

Molecular Mass

716.82

Other Names and Identifiers

InChI

InChI=1S/C20H12Cl3F2N7O7S2.2Na/c1-7-16(19(33)32(31-7)12-5-10(22)14(6-9(12)21)41(37,38)39)30-29-11-4-8(2-3-13(11)40(34,35)36)26-18-15(23)17(24)27-20(25)28-18;;/h2-6,16H,1H3,(H,26,27,28)(H,34,35,36)(H,37,38,39);;

InChIKey

InChIKey=HIQVALLEJJDLPW-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(F)N=C(F)C3Cl)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)O

Other Names for this Substance