Hexasodium 4,4'-[1,4-Phenylenebis[Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino]]Bis[5-Hydroxy-6-[(2-Sulphonatophenyl)Azo]Naphthalene-2,7-Disulphonate]
[CAS# 68214-04-0]

Identification

• Name: Hexasodium 4,4'-[1,4-Phenylenebis[Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino]]Bis[5-Hydroxy-6-[(2-Sulphonatophenyl)Azo]Naphthalene-2,7-Disulphonate]
• Synonyms: Hexasodium (3E)-5-[[4-Chloro-6-[[4-[[4-Chloro-6-[[(7E)-8-Oxo-3,6-Disulfonato-7-[(2-Sulfonatophenyl)Hydrazono]-1-Naphthyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Hexasodium (3E)-5-[[4-Chloro-6-[[4-[[4-Chloro-6-[[(7E)-8-Keto-3,6-Disulfonato-7-[(2-Sulfonatophenyl)Hydrazono]-1-Naphthyl]Amino]-S-Triazin-2-Yl]Amino]Phenyl]Amino]-S-Triazin-2-Yl]Amino]-4-Keto-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; 2,7-Naphthalenedisulfonic Acid, 4,4'-(1,4-Phenylenebis(Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino))Bis(5-Hydroxy-6-((2-Sulfophenyl)Azo)-, Hexasodium Salt
• Molecular Formula: C₄₄H₂₄Cl₂N₁₄Na₆O₂₀S₆
• Molecular Weight: 1469.96
• CAS Registry Number: 68214-04-0
• EINECS: 269-284-3
• SMILES: C7=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)NC6=CC=C(NC2=NC(=NC(=N2)Cl)NC3=CC(=CC5=C3C(=O)C(=N/NC4=CC=CC=C4[S]([O-])(=O)=O)\C(=C5)[S]([O-])(=O)=O)[S]([O-])(=O)=O)C=C6)Cl)C9=C7C=C([S]([O-])(=O)=O)/C(=N/NC8=CC=CC=C8[S]([O-])(=O)=O)C9=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C44H30Cl2N14O20S6.6Na/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,57-58H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6/b59-35-,60-36-
• InChIKey: MPEFHPPVCSSFRQ-IGHLAAJMSA-H