(4E)-4-(4-Ethyl-3,5-dimethyl-2H-pyrrolium-2-ylidene)-2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxo-1-cyclobuten-1-olate
[CAS# 68842-63-7]

Identification

• Name: (4E)-4-(4-Ethyl-3,5-dimethyl-2H-pyrrolium-2-ylidene)-2-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxo-1-cyclobuten-1-olate
• Synonyms: 1-(3,5-Dimethyl-4-ethyl-pyrrol-2-yl)-3-(3,5-dimethyl-4-ethyl- pyrrolium-2-ylidene)-cyclobuten-2-one-4-olate
• Molecular Formula: C₂₀H₂₄N₂O₂
• Molecular Weight: 324.42
• CAS Registry Number: 68842-63-7
• SMILES: CCc1c(c([nH]c1C)C2=C(/C(=C\3/C(=C(C(=[NH+]3)C)CC)C)/C2=O)[O-])C
• InChI: 1S/C20H24N2O2/c1-7-13-9(3)17(21-11(13)5)15-19(23)16(20(15)24)18-10(4)14(8-2)12(6)22-18/h21,23H,7-8H2,1-6H3/b18-16+
• InChIKey: INCZLDJZMJBRRI-FBMGVBCBSA-N

Properties

• Boiling point: 484.261°C at 760 mmHg (Cal.)
• Flash point: 246.672°C (Cal.)