Pentasodium 2-[[4-Chloro-6-[[8-Hydroxy-3,6-Disulphonato-7-[(1-Sulphonato-2-Naphthyl)Azo]-1-Naphthyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulphonatobenzoate
[CAS# 69723-90-6]

Identification

• Name: Pentasodium 2-[[4-Chloro-6-[[8-Hydroxy-3,6-Disulphonato-7-[(1-Sulphonato-2-Naphthyl)Azo]-1-Naphthyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulphonatobenzoate
• Synonyms: Pentasodium 2-[[4-Chloro-6-[[(7E)-8-Oxo-3,6-Disulfonato-7-[(1-Sulfonato-2-Naphthyl)Hydrazono]-1-Naphthyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfonato-Benzoate; Pentasodium 2-[[4-Chloro-6-[[(7E)-8-Oxo-3,6-Disulfonato-7-[(1-Sulfonato-2-Naphthyl)Hydrazono]-1-Naphthyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfonatobenzoate; Pentasodium 2-[[4-Chloro-6-[[(7E)-8-Keto-3,6-Disulfonato-7-[(1-Sulfonato-2-Naphthyl)Hydrazono]-1-Naphthyl]Amino]-S-Triazin-2-Yl]Amino]-5-Sulfonato-Benzoate
• Molecular Formula: C₃₀H₁₅ClN₇Na₅O₁₅S₄
• Molecular Weight: 992.13
• CAS Registry Number: 69723-90-6
• EINECS: 274-097-5
• SMILES: C3=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)NC2=C(C=C([S]([O-])(=O)=O)C=C2)C([O-])=O)Cl)C6=C3C=C([S]([O-])(=O)=O)/C(=N/NC5=C([S]([O-])(=O)=O)C4=CC=CC=C4C=C5)C6=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C30H20ClN7O15S4.5Na/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53;;;;;/h1-12,37H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36);;;;;/q;5*+1/p-5/b38-24-
• InChIKey: CUCXRZBPBNCSDN-NZPGAVIGSA-I