Sodium 7-methylsulfinyl-9-oxoxanthene-2-carboxylate
[CAS# 40691-57-4]

Identification

• Name: Sodium 7-methylsulfinyl-9-oxoxanthene-2-carboxylate
• Synonyms: Sodium 7-Methylsulfinyl-9-Oxo-Xanthene-2-Carboxylate; Sodium 7-Methylsulfinyl-9-Oxo-2-Xanthenecarboxylate; Sodium 9-Keto-7-Methylsulfinyl-Xanthene-2-Carboxylate
• Molecular Formula: C₁₅H₉NaO₅S
• Molecular Weight: 324.28
• CAS Registry Number: 40691-57-4
• SMILES: C1=C([S](=O)C)C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)C([O-])=O.[Na+]
• InChI: 1S/C15H10O5S.Na/c1-21(19)9-3-5-13-11(7-9)14(16)10-6-8(15(17)18)2-4-12(10)20-13;/h2-7H,1H3,(H,17,18);/q;+1/p-1
• InChIKey: XDRMYCKQCFLSEG-UHFFFAOYSA-M

Properties

• Boiling point: 618.4°C at 760 mmHg (Cal.)
• Flash point: 327.8°C (Cal.)