Hydrogen 5-Methyl-2-[2-[[5-Methyl-3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-3-(3-Sulphonatopropyl)Benzothiazolium
[CAS 23368-55-0]

Identification

• Name: Hydrogen 5-Methyl-2-[2-[[5-Methyl-3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-3-(3-Sulphonatopropyl)Benzothiazolium
• Synonyms: 3-[(2E)-5-Methyl-2-[(2E)-2-[[5-Methyl-3-(3-Sulfopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Methylidene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate; 3-[5-Methyl-2-[2-[[5-Methyl-3-(3-Sulfopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Methylene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate; 3-[(2E)-5-Methyl-2-[(2E)-2-[[5-Methyl-3-(3-Sulfopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Methylene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₂₇H₃₂N₂O₆S₄
• Molecular Weight: 608.80
• CAS Registry Number: 23368-55-0
• EINECS: 245-615-7
• SMILES: C2=C1[N+](=C(SC1=CC=C2C)C=C(C=C4SC3=CC=C(C=C3N4CCC[S](=O)(=O)O)C)CC)CCC[S]([O-])(=O)=O
• InChI: 1S/C27H32N2O6S4/c1-4-21(17-26-28(11-5-13-38(30,31)32)22-15-19(2)7-9-24(22)36-26)18-27-29(12-6-14-39(33,34)35)23-16-20(3)8-10-25(23)37-27/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35)
• InChIKey: OCKFAYCPGGIZTF-UHFFFAOYSA-N