3-Ethyl-2-{2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-buten-1-yl}-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate
[CAS# 77737-19-0]

Identification

• Name: 3-Ethyl-2-{2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-buten-1-yl}-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate
• Synonyms: 3-ethyl-2-[2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium p-toluenesulphonate
• Molecular Formula: C₃₀H₃₂N₂O₃S₃
• Molecular Weight: 564.78
• CAS Registry Number: 77737-19-0
• EINECS: 278-756-8
• SMILES: [O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CC
• InChI: 1S/C23H25N2S2.C7H8O3S/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;1-6-2-4-7(5-3-6)11(8,9)10/h7-16H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: SLSUKXBQBDQRTK-UHFFFAOYSA-M