3',6'-Dihydroxy-4',5'-diiodo-2',7'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
[CAS# 93919-67-6]

Identification

• Name: 3',6'-Dihydroxy-4',5'-diiodo-2',7'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
• Synonyms: 3',6'-dihydroxy-4',5'-diiodo-2',7'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
• Molecular Formula: C₂₂H₁₄I₂O₅
• Molecular Weight: 612.15
• CAS Registry Number: 93919-67-6
• EINECS: 300-050-6
• SMILES: Cc5cc4c(Oc1c(cc(C)c(O)c1I)C43OC(=O)c2ccccc23)c(I)c5O
• InChI: 1S/C22H14I2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3
• InChIKey: RPSDBCNTVXHSII-UHFFFAOYSA-N

Properties

• Density: 2.206g/cm³ (Cal.)
• Boiling point: 610.966°C at 760 mmHg (Cal.)
• Flash point: 323.301°C (Cal.)