4-[5-Chloro-2-[(E,3E)-3-[5-Chloro-3-(4-Sulfobutyl)-1,3-Benzothiazol-2-Ylidene]-2-Methylprop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-1-Sulfonate
[CAS# 30457-67-1]

Identification

• Name: 4-[5-Chloro-2-[(E,3E)-3-[5-Chloro-3-(4-Sulfobutyl)-1,3-Benzothiazol-2-Ylidene]-2-Methylprop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-1-Sulfonate
• Synonyms: 4-[5-Chloro-2-[(E,3E)-3-[5-Chloro-3-(4-Sulfobutyl)-1,3-Benzothiazol-2-Ylidene]-2-Methyl-Prop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-1-Sulfonate; Benzothiazolium, 5-Chloro-2-((5-Chloro-3-(4-Sulfobutyl)-2(3H)-Benzothiazolylidene)-2-Methyl-1-Propenyl)-3-(4-Sulfobutyl)-, Inner Salt
• Molecular Formula: C₂₆H₂₈Cl₂N₂O₆S₄
• Molecular Weight: 663.66
• CAS Registry Number: 30457-67-1
• EINECS: 250-209-8
• SMILES: C2=C1[N+](=C(SC1=CC=C2Cl)C=C(C=C4SC3=CC=C(Cl)C=C3N4CCCC[S](=O)(=O)O)C)CCCC[S]([O-])(=O)=O
• InChI: 1S/C26H28Cl2N2O6S4/c1-18(14-25-29(10-2-4-12-39(31,32)33)21-16-19(27)6-8-23(21)37-25)15-26-30(11-3-5-13-40(34,35)36)22-17-20(28)7-9-24(22)38-26/h6-9,14-17H,2-5,10-13H2,1H3,(H-,31,32,33,34,35,36)
• InChIKey: YZCQPIXUPCHLBO-UHFFFAOYSA-N