2-(2-Ethoxybut-1-Enyl)-3-Methyl-5-Phenylbenzoxazolium p-Toluenesulphonate
[CAS# 63123-20-6]

Identification

• Name: 2-(2-Ethoxybut-1-Enyl)-3-Methyl-5-Phenylbenzoxazolium p-Toluenesulphonate
• Synonyms: 2-[(E)-2-Ethoxybut-1-Enyl]-3-Methyl-5-Phenyl-1,3-Benzoxazol-3-Ium; 4-Methylbenzenesulfonate; 2-(2-Ethoxybut-1-Enyl)-3-Methyl-5-Phenylbenzoxazolium P-Toluenesulphonate; Benzoxazolium, 2-(2-Ethoxy-1-Butenyl)-3-Methyl-5-Phenyl-, Salt With4-Methylbenzenesulfonic Acid (1:1)
• Molecular Formula: C₂₇H₂₉NO₅S
• Molecular Weight: 479.59
• CAS Registry Number: 63123-20-6
• EINECS: 263-869-7
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)C.C2=C(C=CC3=C2[N+](=C(O3)C=C(OCC)CC)C)C4=CC=CC=C4
• InChI: 1S/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: DGWMOZHMDMZOJW-UHFFFAOYSA-M