5-[[1,3-Dioxo-1-(Phenylamino)Butan-2-Yl]Hydrazinylidene]-3-Nitro-6-Oxocyclohexa-1,3-Diene-1-Sulfonic Acid
[CAS# 38850-01-0]

Identification

• Name: 5-[[1,3-Dioxo-1-(Phenylamino)Butan-2-Yl]Hydrazinylidene]-3-Nitro-6-Oxocyclohexa-1,3-Diene-1-Sulfonic Acid
• Synonyms: (5E)-5-[[1,3-Dioxo-1-(Phenylamino)Butan-2-Yl]Hydrazinylidene]-3-Nitro-6-Oxocyclohexa-1,3-Diene-1-Sulfonic Acid; 3-Nitro-6-Oxo-5-[[2-Oxo-1-(Phenylcarbamoyl)Propyl]Hydrazono]Cyclohexa-1,3-Diene-1-Sulfonic Acid; (5E)-3-Nitro-6-Oxo-5-[[2-Oxo-1-(Phenylcarbamoyl)Propyl]Hydrazono]Cyclohexa-1,3-Diene-1-Sulfonic Acid
• Molecular Formula: C₁₆H₁₄N₄O₈S
• Molecular Weight: 422.37
• CAS Registry Number: 38850-01-0
• EINECS: 254-155-6
• SMILES: C2=C(NC(=O)C(N\N=C1\C(=O)C(=CC(=C1)[N+]([O-])=O)[S](O)(=O)=O)C(=O)C)C=CC=C2
• InChI: 1S/C16H14N4O8S/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28/h2-8,14,19H,1H3,(H,17,23)(H,26,27,28)/b18-12+
• InChIKey: UIBBBTCKXFZNIL-LDADJPATSA-N

Properties

• Density: 1.618g/cm³ (Cal.)