(12E)-10,15,20,21-Tetraoxa-3-Thiatricyclo[15.2.1.15,8]Henicosa-5,7,12,17,19(1)-Pentene-9,16-Dione
[CAS# 71349-44-5]

Identification

• Name: (12E)-10,15,20,21-Tetraoxa-3-Thiatricyclo[15.2.1.15,8]Henicosa-5,7,12,17,19(1)-Pentene-9,16-Dione
• Synonyms: 2-Furoic Acid, 5,5'-Thiodimethylenedi-, Cyclic Ester With Trans-2-Butene-1,4-Diol; Brn 1691341
• Molecular Formula: C₁₆H₁₄O₆S
• Molecular Weight: 334.34
• CAS Registry Number: 71349-44-5
• SMILES: S3CC1=CC=C(O1)C(OC\C=C/COC(=O)C2=CC=C(O2)C3)=O
• InChI: 1S/C16H14O6S/c17-15-13-5-3-11(21-13)9-23-10-12-4-6-14(22-12)16(18)20-8-2-1-7-19-15/h1-6H,7-10H2/b2-1-
• InChIKey: RILRBPWXHVVWMZ-UPHRSURJSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 621.802°C at 760 mmHg (Cal.)
• Flash point: 329.854°C (Cal.)