[2-[3-[2-Hydroxy-5-[(Phenylsulphonyl)Amino]Phenyl]-3-Oxo-1-Propenyl]Phenoxy]Acetic Acid
[CAS# 94113-29-8]

Identification

• Name: [2-[3-[2-Hydroxy-5-[(Phenylsulphonyl)Amino]Phenyl]-3-Oxo-1-Propenyl]Phenoxy]Acetic Acid
• Synonyms: 2-[2-[(E)-3-[2-Hydroxy-5-(Phenylsulfonylamino)Phenyl]-3-Oxo-Prop-1-Enyl]Phenoxy]Acetic Acid; 2-[2-[(E)-3-[2-Hydroxy-5-(Phenylsulfonylamino)Phenyl]-3-Keto-Prop-1-Enyl]Phenoxy]Acetic Acid; 2-[2-[(E)-3-[2-Hydroxy-5-(Phenylsulfonylamino)Phenyl]-3-Oxo-Prop-1-Eny
• Molecular Formula: C₂₃H₁₉NO₇S
• Molecular Weight: 453.47
• CAS Registry Number: 94113-29-8
• EINECS: 302-560-4
• SMILES: C2=C(N[S](=O)(=O)C1=CC=CC=C1)C=CC(=C2C(=O)\C=C\C3=C(OCC(=O)O)C=CC=C3)O
• InChI: 1S/C23H19NO7S/c25-20(12-10-16-6-4-5-9-22(16)31-15-23(27)28)19-14-17(11-13-21(19)26)24-32(29,30)18-7-2-1-3-8-18/h1-14,24,26H,15H2,(H,27,28)/b12-10+
• InChIKey: KBTTYCJNTVGMIL-ZRDIBKRKSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 710.125°C at 760 mmHg (Cal.)
• Flash point: 383.27°C (Cal.)