3-Ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methyl-1-propen-1-yl]-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate
[CAS# 94158-33-5]

Identification

• Name: 3-Ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methyl-1-propen-1-yl]-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate
• Synonyms: 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5-phenylbenzoxazolium p-toluenesulphonate
• Molecular Formula: C₃₇H₃₈N₂O₄S₂
• Molecular Weight: 638.84
• CAS Registry Number: 94158-33-5
• EINECS: 303-104-7
• SMILES: [O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4cc(ccc4oc3C=C(C)C=C2Sc1cc(C)c(C)cc1N2CC)c5ccccc5
• InChI: 1S/C30H31N2OS.C7H8O3S/c1-6-31-25-19-24(23-11-9-8-10-12-23)13-14-27(25)33-29(31)15-20(3)16-30-32(7-2)26-17-21(4)22(5)18-28(26)34-30;1-6-2-4-7(5-3-6)11(8,9)10/h8-19H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: DYOSRFIQCCLZQY-UHFFFAOYSA-M