Methyl 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxoanthracene-2-Carboxylate
[CAS# 127172-90-1]

Identification

• Name: Methyl 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxoanthracene-2-Carboxylate
• Synonyms: Methyl 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxo-Anthracene-2-Carboxylate; 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Dioxo-2-Anthracenecarboxylic Acid Methyl Ester; 3-[(Z)-2-Ethylbut-2-Enyl]-1,6,8-Trihydroxy-9,10-Diketo-Anthracene-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₂H₂₀O₇
• Molecular Weight: 396.40
• CAS Registry Number: 127172-90-1
• SMILES: C1=C2C(=C(O)C(=C1C\C(=C/C)CC)C(OC)=O)C(=O)C3=C(C2=O)C=C(O)C=C3O
• InChI: 1S/C22H20O7/c1-4-10(5-2)6-11-7-13-18(20(26)16(11)22(28)29-3)21(27)17-14(19(13)25)8-12(23)9-15(17)24/h4,7-9,23-24,26H,5-6H2,1-3H3/b10-4-
• InChIKey: UTZCWJUJEFOBBU-WMZJFQQLSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 658.637°C at 760 mmHg (Cal.)
• Flash point: 233.034°C (Cal.)