4-Oxo-4-[1-(Phenylsulfonyl)-1H-Pyrrol-3-Yl]Butanoic Acid
[CAS# 81454-02-6]

Identification

• Name: 4-Oxo-4-[1-(Phenylsulfonyl)-1H-Pyrrol-3-Yl]Butanoic Acid
• Synonyms: 4-Oxo-4-(1-Phenylsulfonyl-3-Pyrrolyl)Butanoate; 4-Keto-4-(1-Phenylsulfonylpyrrol-3-Yl)Butyrate; Zinc00153451
• Molecular Formula: C₁₄H₁₂NO₅S
• Molecular Weight: 306.31
• CAS Registry Number: 81454-02-6
• SMILES: C1=C(C=C[N]1[S](=O)(=O)C2=CC=CC=C2)C(=O)CCC([O-])=O
• InChI: 1S/C14H13NO5S/c16-13(6-7-14(17)18)11-8-9-15(10-11)21(19,20)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,18)/p-1
• InChIKey: VNZRUVRYEKLZAR-UHFFFAOYSA-M

Properties

• Boiling point: 576.941°C at 760 mmHg (Cal.)
• Flash point: 302.723°C (Cal.)