Methyl 5-Hexyl-7-(S-Methylsulphonimidoyl)-9-Oxo-9H-Xanthene-2-Carboxylate
[CAS# 58762-16-6]

Identification

• Name: Methyl 5-Hexyl-7-(S-Methylsulphonimidoyl)-9-Oxo-9H-Xanthene-2-Carboxylate
• Synonyms: Methyl 5-Hexyl-7-(Methylsulfonimidoyl)-9-Oxo-Xanthene-2-Carboxylate; 5-Hexyl-7-(Methylsulfonimidoyl)-9-Oxo-2-Xanthenecarboxylic Acid Methyl Ester; 5-Hexyl-9-Keto-7-(Methylsulfonimidoyl)Xanthene-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₂H₂₅NO₅S
• Molecular Weight: 415.50
• CAS Registry Number: 58762-16-6
• EINECS: 261-422-0
• SMILES: C1=C([S](C)(=N)=O)C=C(C2=C1C(C3=C(O2)C=CC(=C3)C(OC)=O)=O)CCCCCC
• InChI: 1S/C22H25NO5S/c1-4-5-6-7-8-14-11-16(29(3,23)26)13-18-20(24)17-12-15(22(25)27-2)9-10-19(17)28-21(14)18/h9-13,23H,4-8H2,1-3H3
• InChIKey: RHCXNGOZHHVIAA-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 569.561°C at 760 mmHg (Cal.)
• Flash point: 298.26°C (Cal.)