2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid) hexasodium salt
[CAS# 114456-70-1]

Identification

• Name: 2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid) hexasodium salt
• Synonyms: Hexasodium 2-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[[4-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(2,5-Disulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Hexasodium 2-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[[4-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(2,5-Disulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Vinyl]-3-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Hexasodium 2-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[[4-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(2,5-Disulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
• Molecular Formula: C₄₀H₃₈N₁₂Na₆O₂₂S₆
• Molecular Weight: 1369.11
• CAS Registry Number: 114456-70-1
• SMILES: C6=C(NC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC=C(C(=C2)[S]([O-])(=O)=O)\C=C\C5=CC=C(NC3=NC(=NC(=N3)NC4=CC(=CC=C4[S]([O-])(=O)=O)[S]([O-])(=O)=O)N(CCO)CCO)C=C5[S]([O-])(=O)=O)C(=CC=C6[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C40H44N12O22S6.6Na/c53-15-11-51(12-16-54)39-47-35(45-37(49-39)43-29-21-27(75(57,58)59)7-9-31(29)77(63,64)65)41-25-5-3-23(33(19-25)79(69,70)71)1-2-24-4-6-26(20-34(24)80(72,73)74)42-36-46-38(50-40(48-36)52(13-17-55)14-18-56)44-30-22-28(76(60,61)62)8-10-32(30)78(66,67)68;;;;;;/h1-10,19-22,53-56H,11-18H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/b2-1+
• InChIKey: ZECOZQHKQDLCBT-IRTUOLCXSA-H