Acid Yellow 68
[CAS# 6470-39-9]

Identification

• Name: Acid Yellow 68
• Synonyms: Sodium 4-Chloro-3-[3-Methyl-4-[3-Methyl-4-[2-Methyl-4-(4-Phenylsulfonyloxyphenyl)Azo-Phenyl]Phenyl]Azo-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Sodium 4-Chloro-3-[3-Methyl-4-[3-Methyl-4-[2-Methyl-4-(4-Phenylsulfonyloxyphenyl)Azophenyl]Phenyl]Azo-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Sodium 4-Chloro-3-[5-Keto-3-Methyl-4-[3-Methyl-4-[2-Methyl-4-(4-Phenylsulfonyloxyphenyl)Azo-Phenyl]Phenyl]Azo-4H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₃₆H₂₈ClN₆NaO₇S₂
• Molecular Weight: 779.22
• CAS Registry Number: 6470-39-9
• EINECS: 229-298-2
• SMILES: C6=C(N5N=C(C(N=NC4=CC=C(C3=CC=C(N=NC2=CC=C(O[S](=O)(=O)C1=CC=CC=C1)C=C2)C=C3C)C(=C4)C)C5=O)C)C(=CC=C6[S]([O-])(=O)=O)Cl.[Na+]
• InChI: 1S/C36H29ClN6O7S2.Na/c1-22-19-26(39-38-25-9-13-28(14-10-25)50-52(48,49)29-7-5-4-6-8-29)11-16-31(22)32-17-12-27(20-23(32)2)40-41-35-24(3)42-43(36(35)44)34-21-30(51(45,46)47)15-18-33(34)37;/h4-21,35H,1-3H3,(H,45,46,47);/q;+1/p-1
• InChIKey: UCOKCRRSIUMYIV-UHFFFAOYSA-M