3-Ethyl-2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]Benzothiazolium p-Toluenesulphonate
[CAS# 15086-20-1]

Identification

• Name: 3-Ethyl-2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]Benzothiazolium p-Toluenesulphonate
• Synonyms: 3-Ethyl-2-[(E,3Z)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methyl-Prop-1-Enyl]-1,3-Benzothiazol-3-Ium; 4-Methylbenzenesulfonate; 3-Ethyl-2-(3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl)Benzothiazolium P-Toluenesulphonate; Benzothiazolium, 3-Ethyl-2-(3-(3-Ethyl-2(3H)-Benzothiazolylidene)-2-Methyl-1-Propenyl)-, Salt With 4-Methylbenzenesulfonic Acid (1:1)
• Molecular Formula: C₂₉H₃₀N₂O₃S₃
• Molecular Weight: 550.75
• CAS Registry Number: 15086-20-1
• EINECS: 239-136-2
• SMILES: C2=C1[N+](=C(SC1=CC=C2)C=C(/C=C/4SC3=CC=CC=C3N4CC)C)CC.C5=C([S]([O-])(=O)=O)C=CC(=C5)C
• InChI: 1S/C22H23N2S2.C7H8O3S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: PVRZIWDHDSZPFF-UHFFFAOYSA-M