Disodium 2,5-dichloro-4-[4-({5-[(2,6-dichloro-4-pyrimidinyl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate
[CAS# 71720-93-9]

Identification

• Name: Disodium 2,5-dichloro-4-[4-({5-[(2,6-dichloro-4-pyrimidinyl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate
• Synonyms: Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(2,6-dichloro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt
• Molecular Formula: C₂₀H₁₁Cl₄N₇Na₂O₇S₂
• Molecular Weight: 713.27
• CAS Registry Number: 71720-93-9
• SMILES: CC1=NN(C(=O)C1N=Nc2cc(ccc2S(=O)(=O)[O-])Nc3cc(nc(n3)Cl)Cl)c4cc(c(cc4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
• InChI: 1S/C20H13Cl4N7O7S2.2Na/c1-8-18(19(32)31(30-8)13-5-11(22)15(6-10(13)21)40(36,37)38)29-28-12-4-9(2-3-14(12)39(33,34)35)25-17-7-16(23)26-20(24)27-17;;/h2-7,18H,1H3,(H,25,26,27)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
• InChIKey: FCDTUKBSGSDTKI-UHFFFAOYSA-L