2-[4,5-Di(1,3,2-Dithiarsolan-2-Yl)-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl]Benzoic Acid
[CAS 212118-77-9]

Identification

• Name: 2-[4,5-Di(1,3,2-Dithiarsolan-2-Yl)-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl]Benzoic Acid
• Synonyms: 2-(4,5-Di(1,3,2-dithiarsolan-2-yl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid; 2-(4,5-di-1,3,2-dithiarsolan-2-yl-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid; 4',5'-Bis(1,3,2-dithiarsolan-2-yl)-3',6'-dihydroxy-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
• Molecular Formula: C₂₄H₁₈As₂O₅S₄
• Molecular Weight: 664.50
• CAS Registry Number: 212118-77-9
• SMILES: C1CS[As](S1)C2=C(C=CC3=C2OC4=C(C(=O)C=CC4=C3C5=CC=CC=C5C(=O)O)[As]6SCCS6)O
• InChI: 1S/C24H18As2O5S4/c27-17-7-5-15-19(13-3-1-2-4-14(13)24(29)30)16-6-8-18(28)21(26-34-11-12-35-26)23(16)31-22(15)20(17)25-32-9-10-33-25/h1-8,27H,9-12H2,(H,29,30)
• InChIKey: KCPRYVGBEBFLIG-UHFFFAOYSA-N

Properties

• Boiling point: 849.8±75.0°C at 760 mmHg (Cal.)
• Flash point: 467.8±37.1°C (Cal.)
• Refractive index: (Cal.)

References

• (1): Luedtke et al.. Surveying polypeptide and protein domain conformation and association with FlAsH and ReAsH, Nature Chemical Biology, 2007