CAS 71230-67-6

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium salt (1:2)

Description:

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium salt (1:2), identified by CAS number 71230-67-6, is a complex organic compound characterized by its sulfonic acid group, which imparts strong acidic properties. This compound features a bis(1,2-ethenediyl) linkage, contributing to its structural complexity and potential reactivity. The presence of multiple amino groups, particularly those substituted with hydroxyethyl groups, suggests that it may exhibit significant solubility in water and potential for hydrogen bonding. The triazine moiety in its structure indicates possible applications in agricultural chemistry, particularly as a herbicide or pesticide, due to its nitrogen-rich framework. Additionally, the potassium salt form enhances its solubility and bioavailability in various applications. Overall, this compound's unique structural features and functional groups make it a candidate for diverse chemical applications, particularly in fields requiring effective surfactants or active ingredients in formulations.

Formula: C₄₀H₄₄N₁₂O₁₀S₂·2K

InChI: InChI=1S/C40H44N12O10S2.2K/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;

InChI key: InChIKey=JKRAWAUCYZCXSS-UHFFFAOYSA-N

SMILES: N(CCO)(CCO)C=1N=C(NC2=CC(S(=O)(=O)O)=C(C=CC3=C(S(=O)(=O)O)C=C(NC=4N=C(N(CCO)CCO)N=C(NC5=CC=CC=C5)N4)C=C3)C=C2)N=C(NC6=CC=CC=C6)N1.[K]

Synonyms:

• Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, potassium salt (1:2)
• Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, dipotassium salt
• dipotassium 2,2'-(E)-ethene-1,2-diylbis[5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)benzenesulfonate]
• Dipotassium 4,4'-bis(6-anilino-4-(bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate