1,3-Diallyl-2-(2-(1-methyl-5-nitro-2-phenylindol-3-yl)vinyl)-1H-imidazo(4,5-b)quinoxalinium toluene-p-sulphonate
[CAS# 31521-55-8]

Identification

• Name: 1,3-Diallyl-2-(2-(1-methyl-5-nitro-2-phenylindol-3-yl)vinyl)-1H-imidazo(4,5-b)quinoxalinium toluene-p-sulphonate
• Synonyms: 1,3-Diallyl-2-[(E)-2-(1-Methyl-5-Nitro-2-Phenyl-Indol-3-Yl)Vinyl]-2H-Imidazo[4,5-B]Quinoxalin-9-Ium; 4-Methylbenzenesulfonic Acid; 1,3-Diallyl-2-[(E)-2-(1-Methyl-5-Nitro-2-Phenyl-3-Indolyl)Vinyl]-2H-Imidazo[4,5-B]Quinoxalin-9-Ium; 4-Methylbenzenesulfonic Acid; 4-Methylbenzenesulfonic Acid; 2-[(E)-2-(1-Methyl-5-Nitro-2-Phenyl-Indol-3-Yl)Ethenyl]-1,3-Di(Prop-2-Enyl)-2H-Imidazo[4,5-B]Quinoxalin-9-Ium
• Molecular Formula: C₃₉H₃₇N₆O₅S
• Molecular Weight: 701.82
• CAS Registry Number: 31521-55-8
• EINECS: 250-675-2
• SMILES: C1=C([S](O)(=O)=O)C=CC(=C1)C.C4=C3[NH+]=C2N(C(N(C2=NC3=CC=C4)CC=C)\C=C\C5=C([N](C6=C5C=C([N+]([O-])=O)C=C6)C)C7=CC=CC=C7)CC=C
• InChI: 1S/C32H28N6O2.C7H8O3S/c1-4-19-36-29(37(20-5-2)32-31(36)33-26-13-9-10-14-27(26)34-32)18-16-24-25-21-23(38(39)40)15-17-28(25)35(3)30(24)22-11-7-6-8-12-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-18,21,29H,1-2,19-20H2,3H3;2-5H,1H3,(H,8,9,10)/p+1/b18-16+
• InChIKey: CBQNIZHQMHRCGW-HYNBPGMHSA-O

Properties

• Boiling point: 753.5°C at 760 mmHg (Cal.)
• Flash point: 409.5°C (Cal.)