3-[2-(1,3-Diallyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dimethyl-9-oxo-4,9-dihydro-3H-pyrazolo[5,1-b]quinazolin-10-ium 4-methylbenzenesulfonate
[CAS# 75535-20-5]

Identification

• Name: 3-[2-(1,3-Diallyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dimethyl-9-oxo-4,9-dihydro-3H-pyrazolo[5,1-b]quinazolin-10-ium 4-methylbenzenesulfonate
• Synonyms: 3-[(1,3-diallyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3,9-dihydro-2,4-dimethyl-9-oxopyrazolo[5,1-b]quinazolinium toluene-p-sulphonate
• Molecular Formula: C₃₆H₃₃N₇O₄S
• Molecular Weight: 659.76
• CAS Registry Number: 75535-20-5
• EINECS: 278-249-1
• SMILES: [O-]S(=O)(=O)c1ccc(C)cc1.C=CCN/5c1nc6ccccc6nc1N(CC=C)C\5=C\C=C2C\4=[N+](/N=C2/C)C(=O)c3ccccc3N/4C
• InChI: 1S/C29H26N7O.C7H8O3S/c1-5-17-34-25(35(18-6-2)27-26(34)30-22-12-8-9-13-23(22)31-27)16-15-20-19(3)32-36-28(20)33(4)24-14-10-7-11-21(24)29(36)37;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,1-2,17-18H2,3-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: GLCQTZIXBGRCLR-UHFFFAOYSA-M