3',6'-Bis(Phosphonooxy)-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
[CAS# 134869-03-7]

Identification

• Name: 3',6'-Bis(Phosphonooxy)-Spiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
• Synonyms: (3-Oxo-6'-Phosphonooxy-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl) Dihydrogen Phosphate; (3-Oxo-6'-Phosphonooxy-3'-Spiro[Isobenzofuran-1,9'-Xanthene]Yl) Dihydrogen Phosphate; (3-Keto-6'-Phosphonooxy-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl) Dihydrogen Phosphate
• Molecular Formula: C₂₀H₁₄O₁₁P₂
• Molecular Weight: 492.27
• CAS Registry Number: 134869-03-7
• SMILES: C1=CC=CC5=C1C2(C4=C(OC3=CC(=CC=C23)O[P](=O)(O)O)C=C(O[P](=O)(O)O)C=C4)OC5=O
• InChI: 1S/C20H14O11P2/c21-19-13-3-1-2-4-14(13)20(29-19)15-7-5-11(30-32(22,23)24)9-17(15)28-18-10-12(6-8-16(18)20)31-33(25,26)27/h1-10H,(H2,22,23,24)(H2,25,26,27)
• InChIKey: IMZBXSAKACGTPH-UHFFFAOYSA-N

Properties

• Density: 1.859g/cm³ (Cal.)
• Boiling point: 814.917°C at 760 mmHg (Cal.)
• Flash point: 446.646°C (Cal.)