(E,E,E)-(-)-7-(Acetyloxy)-3-(1,3,5-heptatrienyl)-7-methyl-6H-2-Benzopyran-6,8(7H)-dione
[CAS# 52329-26-7]

Identification

• Name: (E,E,E)-(-)-7-(Acetyloxy)-3-(1,3,5-heptatrienyl)-7-methyl-6H-2-Benzopyran-6,8(7H)-dione
• Synonyms: [3-[(1E,3E,5E)-Hepta-1,3,5-Trienyl]-7-Methyl-6,8-Dioxo-Isochromen-7-Yl] Acetate; Acetic Acid [3-[(1E,3E,5E)-Hepta-1,3,5-Trienyl]-7-Methyl-6,8-Dioxo-7-Isochromenyl] Ester; Acetic Acid [3-[(1E,3E,5E)-Hepta-1,3,5-Trienyl]-6,8-Diketo-7-Methyl-Isochromen-7-Yl] Ester
• Molecular Formula: C₁₉H₁₈O₅
• Molecular Weight: 326.35
• CAS Registry Number: 52329-26-7
• SMILES: CC2(C(C1=COC(=CC1=CC2=O)/C=C/C=C/C=C/C)=O)OC(=O)C
• InChI: 1S/C19H18O5/c1-4-5-6-7-8-9-15-10-14-11-17(21)19(3,24-13(2)20)18(22)16(14)12-23-15/h4-12H,1-3H3/b5-4+,7-6+,9-8+
• InChIKey: XZRLZOCMYBKPHR-ZAJAATJQSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 521.443°C at 760 mmHg (Cal.)
• Flash point: 230.448°C (Cal.)