1-Methyl-4-[2-(3-Nitrophenyl)Vinyl]Cinnolinium Toluene-p-Sulphonate
[CAS# 65168-11-8]

Identification

• Name: 1-Methyl-4-[2-(3-Nitrophenyl)Vinyl]Cinnolinium Toluene-p-Sulphonate
• Synonyms: 4-Methylbenzenesulfonate; 1-Methyl-4-[(E)-2-(3-Nitrophenyl)Vinyl]Cinnolin-1-Ium; 1-Methyl-4-(2-(3-Nitrophenyl)Vinyl)Cinnolinium Toluene-P-Sulphonate; 1-Methyl-4-(3-Nitrostyryl)Cinnolinium P-Toluenesulfonate
• Molecular Formula: C₂₄H₂₁N₃O₅S
• Molecular Weight: 463.51
• CAS Registry Number: 65168-11-8
• EINECS: 265-588-5
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)C.C2=N[N+](=C4C(=C2\C=C\C3=CC=CC(=C3)[N+]([O-])=O)C=CC=C4)C
• InChI: 1S/C17H14N3O2.C7H8O3S/c1-19-17-8-3-2-7-16(17)14(12-18-19)10-9-13-5-4-6-15(11-13)20(21)22;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b10-9+
• InChIKey: IQPKZDLCDCFIOS-RRABGKBLSA-M