3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxoanthracene-2-Carboxylic Acid
[CAS# 102819-46-5]

Identification

• Name: 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxoanthracene-2-Carboxylic Acid
• Synonyms: 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxo-Anthracene-2-Carboxylic Acid; 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxo-2-Anthracenecarboxylic Acid; 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Diketo-Anthracene-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₈O₇
• Molecular Weight: 382.37
• CAS Registry Number: 102819-46-5
• SMILES: C1=C(C(=C(O)C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)C(=O)O)C\C(=C/C)CC
• InChI: 1S/C21H18O7/c1-3-9(4-2)5-10-6-12-17(19(25)15(10)21(27)28)20(26)16-13(18(12)24)7-11(22)8-14(16)23/h3,6-8,22-23,25H,4-5H2,1-2H3,(H,27,28)/b9-3-
• InChIKey: SYTAMFWHVQWAKV-OQFOIZHKSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 672.599°C at 760 mmHg (Cal.)
• Flash point: 374.554°C (Cal.)