2-[4-(Dimethylamino)Phenyl]-4-[4-(Dimethyliminio)-2,5-Cyclohexadien-1-Ylidene]-3-Oxo-1-Cyclobuten-1-Olate
[CAS 43134-09-4]

Identification

• Name: 2-[4-(Dimethylamino)Phenyl]-4-[4-(Dimethyliminio)-2,5-Cyclohexadien-1-Ylidene]-3-Oxo-1-Cyclobuten-1-Olate
• Synonyms: 1,3-BIS(4-DIMETHYLAMINO-PHENYL)-2-OXO-CYCLOBUTEYYLIUM-4-OLAT; 2-[4-(dimethylamino)phenyl]-4-[4-(dimethylylidene)cyclohexa-2,5-dienylidene]-3-hydroxycyclobut-2-en-1-one; Squarylium dye III
• Molecular Formula: C₂₀H₂₀N₂O₂
• Molecular Weight: 320.39
• CAS Registry Number: 43134-09-4
• SMILES: CN(C)c1ccc(cc1)C2=C(C(=C3C=CC(=[N+](C)C)C=C3)C2=O)[O-]
• InChI: 1S/C20H20N2O2/c1-21(2)15-9-5-13(6-10-15)17-19(23)18(20(17)24)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3
• InChIKey: HERJDZWHZQOZLU-UHFFFAOYSA-N

References

• (1): Stokes Robert J.. Squaraines as unique reporters for SERRS multiplexing, Chemical Communications, 2008