3,3'-Bis(3-Sulfopropyl)-4,5:4',5'-Dibenzo-9-Ethylthiacarbocyanine betaine Triethylammonium Salt
[CAS# 23216-67-3]

Identification

• Name: 3,3'-Bis(3-Sulfopropyl)-4,5:4',5'-Dibenzo-9-Ethylthiacarbocyanine betaine Triethylammonium Salt
• Synonyms: N,N-Diethylethanamine; 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; N,N-Diethylethanamine; 3-[(2Z)-2-[(2E)-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; N,N-Diethylethanamine; 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: C₃₉H₄₇N₃O₆S₄
• Molecular Weight: 782.06
• CAS Registry Number: 23216-67-3
• EINECS: 245-498-2
• SMILES: C1=CC6=C(C2=C1SC(=[N+]2CCC[S]([O-])(=O)=O)C=C(C=C3SC4=C(N3CCC[S](=O)(=O)O)C5=C(C=C4)C=CC=C5)CC)C=CC=C6.C(N(CC)CC)C
• InChI: 1S/C33H32N2O6S4.C6H15N/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;1-4-7(5-2)6-3/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3
• InChIKey: IRGJPQDDBXQCAP-UHFFFAOYSA-N