3-[6-[13-[2-(2,3-Dicarboxyphenyl)-5-Methoxy-1-Benzofuran-6-Yl]-1,4,10-Trioxa-7,13-Diazacyclopentadec-7-Yl]-5-Methoxy-1-Benzofuran-2-Yl]Phthalic Acid
[CAS# 124487-65-6]

Identification

• Name: 3-[6-[13-[2-(2,3-Dicarboxyphenyl)-5-Methoxy-1-Benzofuran-6-Yl]-1,4,10-Trioxa-7,13-Diazacyclopentadec-7-Yl]-5-Methoxy-1-Benzofuran-2-Yl]Phthalic Acid
• Synonyms: 3-[6-[13-[2-(2,3-Dicarboxyphenyl)-5-Methoxy-Benzofuran-6-Yl]-1,4,10-Trioxa-7,13-Diazacyclopentadec-7-Yl]-5-Methoxy-Benzofuran-2-Yl]Phthalic Acid; 3-[6-[13-[2-(2,3-Dicarboxyphenyl)-5-Methoxy-6-Benzofuranyl]-1,4,10-Trioxa-7,13-Diazacyclopentadec-7-Yl]-5-Methoxy-2-Benzofuranyl]Phthalic Acid; (1,4,10-Trioxa-7,13-Diazacyclopentadecane-7,13-Diylbis(5-Methoxy-6,2-Benzofurandiyl))Bis-1,2-Benzenedicarboxylic Acid
• Molecular Formula: C₄₄H₄₂N₂O₁₅
• Molecular Weight: 838.82
• CAS Registry Number: 124487-65-6
• SMILES: C1=C(OC2=CC(=C(OC)C=C12)N6CCOCCN(C3=C(OC)C=C4C(=C3)OC(=C4)C5=C(C(=CC=C5)C(=O)O)C(=O)O)CCOCCOCC6)C7=C(C(=CC=C7)C(=O)O)C(=O)O
• InChI: 1S/C44H42N2O15/c1-55-37-21-25-19-35(27-5-3-7-29(41(47)48)39(27)43(51)52)60-33(25)23-31(37)45-9-13-57-14-10-46(12-16-59-18-17-58-15-11-45)32-24-34-26(22-38(32)56-2)20-36(61-34)28-6-4-8-30(42(49)50)40(28)44(53)54/h3-8,19-24H,9-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)
• InChIKey: LCLZELJPNRRHBU-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 1029.569°C at 760 mmHg (Cal.)
• Flash point: 576.462°C (Cal.)