3'-(4-Guanidinobenzoyloxy)Spiro(Isobenzofuran-1-(3H),9'-(9H)Xanthen)-3-One
[CAS# 97165-32-7]

Identification

• Name: 3'-(4-Guanidinobenzoyloxy)Spiro(Isobenzofuran-1-(3H),9'-(9H)Xanthen)-3-One
• Synonyms: (3-Oxospiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl) 4-Guanidinobenzoate; 4-Guanidinobenzoic Acid (3-Oxo-3'-Spiro[Isobenzofuran-1,9'-Xanthene]Yl) Ester; 4-Guanidinobenzoic Acid (3-Ketospiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl) Ester
• Molecular Formula: C₂₈H₁₉N₃O₅
• Molecular Weight: 477.48
• CAS Registry Number: 97165-32-7
• SMILES: C2=C1C3(OC(=O)C1=CC=C2)C6=C(OC4=CC=CC=C34)C=C(OC(=O)C5=CC=C(N=C(N)N)C=C5)C=C6
• InChI: 1S/C28H19N3O5/c29-27(30)31-17-11-9-16(10-12-17)25(32)34-18-13-14-22-24(15-18)35-23-8-4-3-7-21(23)28(22)20-6-2-1-5-19(20)26(33)36-28/h1-15H,(H4,29,30,31)
• InChIKey: OVOWMQRABZWWPK-UHFFFAOYSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 744.745°C at 760 mmHg (Cal.)
• Flash point: 404.207°C (Cal.)