3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
[CAS# 69853-43-6]

Identification

• Name: 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
• Synonyms: 3-[2-({3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinylazolin-2-ylidene)methyl]pyrrol-2-yl}methyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinylazolin-2-ylidene)methyl]pyrrol-3-yl]propanoic acid
• Molecular Formula: C₃₃H₃₆N₄O₆
• Molecular Weight: 584.66
• CAS Registry Number: 69853-43-6
• SMILES: CC=4\C(=C/c3nc(Cc2nc(/C=C/1\NC(=O)C(\C)=C\1\C=C)c(C)c2CCC(O)=O)c(CCC(O)=O)c3C)\NC(=O)C=4C=C
• InChI: 1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14-
• InChIKey: BPYKTIZUTYGOLE-KDUUSRDASA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 925.157°C at 760 mmHg (Cal.)
• Flash point: 513.317°C (Cal.)