3-[[5-(Benzoylamino)-6-Hydroxy-3-Methylphenyl]Azo]-2-Hydroxy-5-Nitrobenzenesulfonic Acid
[CAS# 6109-98-4]

Identification

• Name: 3-[[5-(Benzoylamino)-6-Hydroxy-3-Methylphenyl]Azo]-2-Hydroxy-5-Nitrobenzenesulfonic Acid
• Synonyms: 3-[N'-[5-(Benzoylimino)-3-Methyl-6-Oxo-1-Cyclohexa-1,3-Dienyl]Hydrazino]-2-Hydroxy-5-Nitro-Benzenesulfonic Acid; 2-Hydroxy-3-[N'-[3-Methyl-6-Oxo-5-(Oxo-Phenylmethyl)Imino-1-Cyclohexa-1,3-Dienyl]Hydrazino]-5-Nitrobenzenesulfonic Acid; 3-[N'-[5-(Benzoylimino)-6-Keto-3-Methyl-1-Cyclohexa-1,3-Dienyl]Hydrazino]-2-Hydroxy-5-Nitro-Benzenesulfonic Acid
• Molecular Formula: C₂₀H₁₆N₄O₈S
• Molecular Weight: 472.43
• CAS Registry Number: 6109-98-4
• SMILES: C1=C([N+]([O-])=O)C=C([S](O)(=O)=O)C(=C1NNC3=CC(=CC(=NC(=O)C2=CC=CC=C2)C3=O)C)O
• InChI: 1S/C20H16N4O8S/c1-11-7-14(21-20(27)12-5-3-2-4-6-12)18(25)15(8-11)22-23-16-9-13(24(28)29)10-17(19(16)26)33(30,31)32/h2-10,22-23,26H,1H3,(H,30,31,32)
• InChIKey: FMANBTICVDIGBR-UHFFFAOYSA-N

Properties

• Density: 1.592g/cm³ (Cal.)