Anhydro-4,5,4',5'-dibenzo-9-ethyl-3,3'-bis(gamma-sulfopropyl)-2,2'-thiacarbocyanine hydroxide sodium salt
[CAS 16470-45-4]

Identification

• Name: Anhydro-4,5,4',5'-dibenzo-9-ethyl-3,3'-bis(gamma-sulfopropyl)-2,2'-thiacarbocyanine hydroxide sodium salt
• Synonyms: Sodium 3-[2-[(E)-2-[(Z)-[1-(3-Sulfonatopropyl)Benzo[E][1,3]Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]Benzo[E][1,3]Benzothiazol-1-Ium-1-Yl]Propane-1-Sulfonate; Sodium 3-[2-[(Z)-2-[(Z)-[1-(3-Sulfonatopropyl)-2-Benzo[E][1,3]Benzothiazolylidene]Methyl]But-1-Enyl]-1-Benzo[E][1,3]Benzothiazol-1-Iumyl]Propane-1-Sulfonate; Sodium 3-[2-[(E)-2-[(Z)-[1-(3-Sulfonatopropyl)-2-Benzo[E][1,3]Benzothiazolylidene]Methyl]But-1-Enyl]-1-Benzo[E][1,3]Benzothiazol-1-Iumyl]Propane-1-Sulfonate
• Molecular Formula: C₃₃H₃₁N₂NaO₆S₄
• Molecular Weight: 702.85
• CAS Registry Number: 16470-45-4
• EINECS: 240-525-4
• SMILES: C2=C1SC(=[N+](C1=C3C(=C2)C=CC=C3)CCC[S]([O-])(=O)=O)C=C(/C=C/5SC4=CC=C6C(=C4N5CCC[S]([O-])(=O)=O)C=CC=C6)CC.[Na+]
• InChI: 1S/C33H32N2O6S4.Na/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);/q;+1/p-1
• InChIKey: OSCPLDUCTDFYNQ-UHFFFAOYSA-M