Sodium 2-[[[3-[(4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo]-4-Hydroxyphenyl]Sulphonyl]Amino]Benzoate
[CAS# 71701-27-4]

Identification

• Name: Sodium 2-[[[3-[(4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo]-4-Hydroxyphenyl]Sulphonyl]Amino]Benzoate
• Synonyms: Sodium 2-[[(3E)-3-[(3-Methyl-5-Oxo-1-Phenyl-4H-Pyrazol-4-Yl)Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienyl]Sulfonylamino]Benzoate; Sodium 2-[[(3E)-4-Keto-3-[(5-Keto-3-Methyl-1-Phenyl-4H-Pyrazol-4-Yl)Hydrazono]-1-Cyclohexa-1,5-Dienyl]Sulfonylamino]Benzoate
• Molecular Formula: C₂₃H₁₈N₅NaO₆S
• Molecular Weight: 515.47
• CAS Registry Number: 71701-27-4
• EINECS: 275-872-0
• SMILES: C4=C(N3N=C(C(N\N=C\2C=C([S](=O)(=O)NC1=CC=CC=C1C([O-])=O)C=CC2=O)C3=O)C)C=CC=C4.[Na+]
• InChI: 1S/C23H19N5O6S.Na/c1-14-21(22(30)28(26-14)15-7-3-2-4-8-15)25-24-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32;/h2-13,21,25,27H,1H3,(H,31,32);/q;+1/p-1/b24-19+
• InChIKey: LGQVSAKZZPMHFC-UUWMJBOLSA-M

Properties

• Boiling point: 730.9°C at 760 mmHg (Cal.)
• Flash point: 395.8°C (Cal.)