Hexasodium 2,2'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[(3-Amino-3-Oxopropyl)(2-Hydroxyethyl)Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,4-Disulphonate)
[CAS# 67906-33-6]

Identification

• Name: Hexasodium 2,2'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[(3-Amino-3-Oxopropyl)(2-Hydroxyethyl)Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,4-Disulphonate)
• Synonyms: Hexasodium 2-[[4-[(3-Amino-3-Oxo-Propyl)-(2-Hydroxyethyl)Amino]-6-[[4-[(E)-2-[4-[[4-[(3-Amino-3-Oxo-Propyl)-(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-[(3-Amino-3-Oxopropyl)-(2-Hydroxyethyl)Amino]-6-[[4-[(E)-2-[4-[[4-[(3-Amino-3-Oxopropyl)-(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-[(3-Amino-3-Keto-Propyl)-(2-Hydroxyethyl)Amino]-6-[[4-[(E)-2-[4-[[4-[(3-Amino-3-Keto-Propyl)-(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: C₄₂H₄₀N₁₄Na₆O₂₂S₆
• Molecular Weight: 1423.16
• CAS Registry Number: 67906-33-6
• EINECS: 267-702-9
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC6=CC(=C(\C=C\C5=C([S]([O-])(=O)=O)C=C(NC3=NC(=NC(=N3)N(CCC(=O)N)CCO)NC4=C([S]([O-])(=O)=O)C=CC(=C4)[S]([O-])(=O)=O)C=C5)C=C6)[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H46N14O22S6.6Na/c43-35(59)11-13-55(15-17-57)41-51-37(49-39(53-41)47-29-21-27(79(61,62)63)7-9-31(29)81(67,68)69)45-25-5-3-23(33(19-25)83(73,74)75)1-2-24-4-6-26(20-34(24)84(76,77)78)46-38-50-40(54-42(52-38)56(16-18-58)14-12-36(44)60)48-30-22-28(80(64,65)66)8-10-32(30)82(70,71)72;;;;;;/h1-10,19-22,57-58H,11-18H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;;;/q;6*+1/p-6/b2-1+
• InChIKey: CIWXATOWCSNXPR-IRTUOLCXSA-H