Hexasodium 4,4'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[Bis(2-Hydroxyethyl)Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,3-Disulphonate)
[CAS# 68072-53-7]

Identification

• Name: Hexasodium 4,4'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[Bis(2-Hydroxyethyl)Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,3-Disulphonate)
• Synonyms: Hexasodium 4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[[4-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(2,4-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-1,3-Disulfonate; Hexasodium 4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[[4-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(2,4-Disulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Vinyl]-3-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,3-Disulfonate; Hexasodium 4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[[4-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(2,4-Disulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]Benzene-1,3-Disulfonate
• Molecular Formula: C₄₀H₃₈N₁₂Na₆O₂₂S₆
• Molecular Weight: 1369.11
• CAS Registry Number: 68072-53-7
• EINECS: 268-347-2
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1[S]([O-])(=O)=O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC=C(C(=C3)[S]([O-])(=O)=O)\C=C\C6=CC=C(NC4=NC(=NC(=N4)NC5=CC=C([S]([O-])(=O)=O)C=C5[S]([O-])(=O)=O)N(CCO)CCO)C=C6[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)43-29-9-7-27(75(57,58)59)21-33(29)79(69,70)71)41-25-5-3-23(31(19-25)77(63,64)65)1-2-24-4-6-26(20-32(24)78(66,67)68)42-36-46-38(50-40(48-36)52(13-17-55)14-18-56)44-30-10-8-28(76(60,61)62)22-34(30)80(72,73)74;;;;;;/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: BAJUOBBOYSPFCD-IRTUOLCXSA-H