3-[(2Z)-2-[[3-(2-Carboxyethyl)-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methylene]-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-Pyrrol-3-Yl]Propanoic Acid
[CAS# 551-33-7]

Identification

• Name: 3-[(2Z)-2-[[3-(2-Carboxyethyl)-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methylene]-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-Pyrrol-3-Yl]Propanoic Acid
• Molecular Formula: C₃₃H₃₈N₄O₆
• Molecular Weight: 586.68
• CAS Registry Number: 551-33-7
• SMILES: OC(=O)CCc1c(C)c(nc1\C=C\3/N=C(/C=C2\NC(=O)C(/C)=C2/CC)C(/C)=C/3/CCC(O)=O)\C=C4/NC(=O)C(\C)=C4\CC
• InChI: 1S/C33H38N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)33(43)37-27/h13-15,34H,7-12H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
• InChIKey: IQINGGAOJHPRMT-SRVCBVSDSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 889.139°C at 760 mmHg (Cal.)
• Flash point: 491.534°C (Cal.)