Disodium 2-(2,4,5,7-tetraiodo-3-keto-6-oxido-xanthen-9-yl)benzoate hydrate
[CAS# 49746-10-3]

Identification

• Name: Disodium 2-(2,4,5,7-tetraiodo-3-keto-6-oxido-xanthen-9-yl)benzoate hydrate
• Synonyms: Disodium 2-(2,4,5,7-Tetraiodo-3-Oxido-6-Oxo-Xanthen-9-Yl)Benzoate Hydrate; Disodium 2-(2,4,5,7-Tetraiodo-3-Oxido-6-Oxo-9-Xanthenyl)Benzoate Hydrate; Disodium 2-(2,4,5,7-Tetraiodo-3-Keto-6-Oxido-Xanthen-9-Yl)Benzoate Hydrate
• Molecular Formula: C₂₀H₈I₄Na₂O₆
• Molecular Weight: 897.88
• CAS Registry Number: 49746-10-3
• SMILES: C3=C2C(=C1C(=C(I)C(=O)C(=C1)I)OC2=C(I)C(=C3I)[O-])C4=C(C([O-])=O)C=CC=C4.[Na+].[Na+].O
• InChI: 1S/C20H8I4O5.2Na.H2O/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;;/h1-6,25H,(H,27,28);;;1H2/q;2*+1;/p-2
• InChIKey: IVKWXPBUMQZFCW-UHFFFAOYSA-L

Properties

• Boiling point: 693.2°C at 760 mmHg (Cal.)
• Flash point: 373°C (Cal.)