3-[(2Z)-5-Bromo-2-[(2E)-2-[(3-Ethyl-5,6-Dimethyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Methylidene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate
[CAS# 39981-04-9]

Identification

• Name: 3-[(2Z)-5-Bromo-2-[(2E)-2-[(3-Ethyl-5,6-Dimethyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Methylidene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate
• Synonyms: 3-[(2Z)-5-Bromo-2-[(2E)-2-[(3-Ethyl-5,6-Dimethyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Methylene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate; 3-[(2Z)-5-Bromo-2-[(E)-2-Ethyl-3-(3-Ethyl-5,6-Dimethyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Prop-2-Enylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₂₆H₃₁BrN₂O₃S₃
• Molecular Weight: 595.63
• CAS Registry Number: 39981-04-9
• EINECS: 254-732-2
• SMILES: [SH+]1C(N(C2=C1C=C(C(=C2)C)C)CC)\C=C(\C=C\3SC4=C(N3CCC[S]([O-])(=O)=O)C=C(Br)C=C4)CC
• InChI: 1S/C26H31BrN2O3S3/c1-5-19(14-25-28(6-2)21-12-17(3)18(4)13-24(21)34-25)15-26-29(10-7-11-35(30,31)32)22-16-20(27)8-9-23(22)33-26/h8-9,12-16,25H,5-7,10-11H2,1-4H3,(H,30,31,32)/b19-14+,26-15-
• InChIKey: GTDKAKTVNNHPBL-HXTXRWNDSA-N