3-Oxo-N-[4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Butyramide
[CAS# 68516-48-3]

Identification

• Name: 3-Oxo-N-[4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Butyramide
• Synonyms: 2-[4-(1,3-Dioxobutylamino)Phenyl]Sulfonylethyl Hydrogen Sulfate; 2-[4-(Acetoacetylamino)Phenyl]Sulfonylethyl Hydrogen Sulfate
• Molecular Formula: C₁₂H₁₅NO₈S₂
• Molecular Weight: 365.37
• CAS Registry Number: 68516-48-3
• EINECS: 271-155-1
• SMILES: C1=CC(=CC=C1[S](CCO[S](=O)(=O)O)(=O)=O)NC(=O)CC(=O)C
• InChI: 1S/C12H15NO8S2/c1-9(14)8-12(15)13-10-2-4-11(5-3-10)22(16,17)7-6-21-23(18,19)20/h2-5H,6-8H2,1H3,(H,13,15)(H,18,19,20)
• InChIKey: MEFNHSZVQXGNFR-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)