Esuprone
[CAS# 91406-11-0]

Identification

• Name: Esuprone
• Synonyms: (3,4-Dimethyl-2-Oxo-Chromen-7-Yl) Ethanesulfonate; Ethanesulfonic Acid (3,4-Dimethyl-2-Oxo-7-Chromenyl) Ester; Ethanesulfonic Acid (2-Keto-3,4-Dimethyl-Chromen-7-Yl) Ester
• Molecular Formula: C₁₃H₁₄O₅S
• Molecular Weight: 282.31
• CAS Registry Number: 91406-11-0
• SMILES: C1=CC(=CC2=C1C(=C(C)C(O2)=O)C)O[S](CC)(=O)=O
• InChI: 1S/C13H14O5S/c1-4-19(15,16)18-10-5-6-11-8(2)9(3)13(14)17-12(11)7-10/h5-7H,4H2,1-3H3
• InChIKey: CHDGAVDQRSPBTA-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 462.158°C at 760 mmHg (Cal.)
• Flash point: 233.305°C (Cal.)