4-(4'-{[(3-Hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)methyl]sulfanyl}-4-biphenylyl)-2,4-dioxobutanoic acid
[CAS# 88197-30-2]

Identification

• Name: 4-(4'-{[(3-Hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)methyl]sulfanyl}-4-biphenylyl)-2,4-dioxobutanoic acid
• Synonyms: (1,1'-Biphenyl)-4-butanoic acid, 4'-(((3,4-dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl)methyl)thio)-α,γ-dioxo-; 4'-(((3,4-Dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl)methyl)thio)-α,γ-dioxo-(1,1'-biphenyl)-4-butanoic acid; 4-(4'-(((3,4-dihydro-3-hydroxy-2H-1,5-benzodioxepin-3-yl)methyl)thio)(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid
• Molecular Formula: C₂₆H₂₂O₇S
• Molecular Weight: 478.51
• CAS Registry Number: 88197-30-2
• SMILES: C1C(COC2=CC=CC=C2O1)(CSC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)CC(=O)C(=O)O)O
• InChI: 1S/C26H22O7S/c27-21(13-22(28)25(29)30)19-7-5-17(6-8-19)18-9-11-20(12-10-18)34-16-26(31)14-32-23-3-1-2-4-24(23)33-15-26/h1-12,31H,13-16H2,(H,29,30)
• InChIKey: UEOJQYVDBAHYRQ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 697.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 375.3±31.5°C (Cal.)