3',6'-Bis(Acetyloxy)-6-Nitrospiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
[CAS# 53299-21-1]

Identification

• Name: 3',6'-Bis(Acetyloxy)-6-Nitrospiro[Isobenzofuran-1(3H),9'-[9H]Xanthen]-3-One
• Synonyms: (6'-Acetoxy-6-Nitro-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl) Acetate; Acetic Acid (6'-Acetoxy-6-Nitro-3-Oxo-3'-Spiro[Isobenzofuran-1,9'-Xanthene]Yl) Ester; Acetic Acid (6'-Acetoxy-3-Keto-6-Nitro-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl) Ester
• Molecular Formula: C₂₄H₁₅NO₉
• Molecular Weight: 461.38
• CAS Registry Number: 53299-21-1
• SMILES: C1=C([N+]([O-])=O)C=CC2=C1C4(OC2=O)C3=CC=C(OC(=O)C)C=C3OC5=CC(=CC=C45)OC(=O)C
• InChI: 1S/C24H15NO9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)24(18)20-9-14(25(29)30)3-6-17(20)23(28)34-24/h3-11H,1-2H3
• InChIKey: VYIGESZPYCCIHE-UHFFFAOYSA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 674.467°C at 760 mmHg (Cal.)
• Flash point: 277.456°C (Cal.)