Pentasodium 2-[[1-Hydroxy-3,6-Disulphonato-8-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Benzoyl]Amino]-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 97043-71-5]

Identification

• Name: Pentasodium 2-[[1-Hydroxy-3,6-Disulphonato-8-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Benzoyl]Amino]-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Pentasodium (3Z)-3-[(1,5-Disulfonato-2-Naphthyl)Hydrazono]-4-Oxo-5-[[3-(2-Sulfonatooxyethylsulfonyl)Benzoyl]Amino]Naphthalene-2,7-Disulfonate; Pentasodium (3Z)-3-[(1,5-Disulfonato-2-Naphthyl)Hydrazono]-4-Oxo-5-[[Oxo-[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]M
• Molecular Formula: C₂₉H₁₈N₃Na₅O₂₀S₆
• Molecular Weight: 1035.78
• CAS Registry Number: 97043-71-5
• EINECS: 306-321-5
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC(=O)C1=CC(=CC=C1)[S](=O)(=O)CCO[S]([O-])(=O)=O)C5=C2C=C([S]([O-])(=O)=O)\C(=N/NC4=C([S]([O-])(=O)=O)C3=C(C(=CC=C3)[S]([O-])(=O)=O)C=C4)C5=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C29H23N3O20S6.5Na/c33-27-25-16(12-18(54(37,38)39)14-22(25)30-29(34)15-3-1-4-17(11-15)53(35,36)10-9-52-58(49,50)51)13-24(56(43,44)45)26(27)32-31-21-8-7-19-20(28(21)57(46,47)48)5-2-6-23(19)55(40,41)42;;;;;/h1-8,11-14,31H,9-10H2,(H,30,34)(H,37,38,39)(H,40
• InChIKey: HTFNJKCSRNSIRS-AOBWEGJISA-I