Sodium 5-Fluoro-2-Methyl-1-[[4-(Methylsulphinyl)Phenyl]Methylene]-1H-Indene-3-Acetate
[CAS# 40796-29-0]

Identification

• Name: Sodium 5-Fluoro-2-Methyl-1-[[4-(Methylsulphinyl)Phenyl]Methylene]-1H-Indene-3-Acetate
• Synonyms: Sodium 2-[(3Z)-6-Fluoro-2-Methyl-3-[(4-Methylsulfinylphenyl)Methylene]Inden-1-Yl]Acetate; Sodium 2-[(3Z)-6-Fluoro-2-Methyl-3-[(4-Methylsulfinylphenyl)Methylene]-1-Indenyl]Acetate; Sodium 2-[(3Z)-6-Fluoro-2-Methyl-3-(4-Methylsulfinylbenzylidene)Inden-1-Yl]Acetate
• Molecular Formula: C₂₀H₁₆FNaO₃S
• Molecular Weight: 378.39
• CAS Registry Number: 40796-29-0
• EINECS: 255-085-9
• SMILES: C1=C(F)C=CC2=C1C(=C(\C2=C\C3=CC=C([S](=O)C)C=C3)C)CC([O-])=O.[Na+]
• InChI: 1S/C20H17FO3S.Na/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;/h3-10H,11H2,1-2H3,(H,22,23);/q;+1/p-1/b17-9-
• InChIKey: YMXUJDLCLXHYBO-WPTDRQDKSA-M

Properties

• Boiling point: 581.6°C at 760 mmHg (Cal.)
• Flash point: 305.6°C (Cal.)