1-(3-Sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium, hydroxide, inner salt
[CAS 4622-66-6]

Identification

• Name: 1-(3-Sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium, hydroxide, inner salt
• Synonyms: 3-[(2E)-2-[(2E)-2-[[1-(3-Sulfopropyl)Benzo[E][1,3]Benzothiazol-1-Ium-2-Yl]Methylidene]Butylidene]Benzo[E][1,3]Benzothiazol-1-Yl]Propane-1-Sulfonate; 3-[2-[2-[[1-(3-Sulfopropyl)Benzo[E][1,3]Benzothiazol-1-Ium-2-Yl]Methylidene]Butylidene]Benzo[E][1,3]Benzothiazol-1-Yl]Propane-1-Sulfonate; 3-[2-[2-[[1-(3-Sulfopropyl)Benzo[E][1,3]Benzothiazol-1-Ium-2-Yl]Methylene]Butylidene]Benzo[E][1,3]Benzothiazol-1-Yl]Propane-1-Sulfonate
• Molecular Formula: C₃₃H₃₂N₂O₆S₄
• Molecular Weight: 680.87
• CAS Registry Number: 4622-66-6
• SMILES: C1=CC=CC6=C1C2=C(SC(N2CCC[S](O)(=O)=O)=CC(=CC4=[N+](C3=C5C(=CC=C3S4)C=CC=C5)CCC[S](=O)(=O)[O-])CC)C=C6
• InChI: 1S/C33H32N2O6S4/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41)
• InChIKey: LJJASSFOPDYCPC-UHFFFAOYSA-N