Pentasodium 5-[[3-[[[4-[[4-[[8-[(3-Aminobenzoyl)Amino]-1-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]-3-Methoxy-7-Sulphonato-1-Naphthyl]Azo]-3-Sulphonatophenyl]Amino]Carbonyl]Phenyl]Azo]Salicylate
[CAS# 70209-90-4]

Identification

• Name: Pentasodium 5-[[3-[[[4-[[4-[[8-[(3-Aminobenzoyl)Amino]-1-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]-3-Methoxy-7-Sulphonato-1-Naphthyl]Azo]-3-Sulphonatophenyl]Amino]Carbonyl]Phenyl]Azo]Salicylate
• Synonyms: Pentasodium 5-((3-(((4-((4-((8-((3-Aminobenzoyl)Amino)-1-Hydroxy-3,6-Disulphonato-2-Naphthyl)Azo)-3-Methoxy-7-Sulphonato-1-Naphthyl)Azo)-3-Sulphonatophenyl)Amino)Carbonyl)Phenyl)Azo)Salicylate
• Molecular Formula: C₄₈H₃₀N₉Na₅O₁₉S₄
• Molecular Weight: 1280.00
• CAS Registry Number: 70209-90-4
• EINECS: 274-389-2
• SMILES: C1=C(C5=C(C(=C1OC)N=NC2=C(C3=C(C=C2[S](=O)(=O)[O-])C=C(C=C3NC(=O)C4=CC(=CC=C4)N)[S](=O)(=O)[O-])O)C=CC(=C5)[S](=O)(=O)[O-])N=NC6=C(C=C(C=C6)NC(=O)C7=CC(=CC=C7)N=NC8=CC=C(C(=C8)C([O-])=O)O)[S](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C48H35N9O19S4.5Na/c1-76-39-22-36(55-54-35-12-8-27(19-40(35)79(70,71)72)50-46(60)24-5-3-7-28(15-24)52-53-29-9-13-38(58)34(18-29)48(62)63)33-20-30(77(64,65)66)10-11-32(33)43(39)56-57-44-41(80(73,74)75)17-25-16-31(78(67,68)69)21-37(42(25)45(44)59)51-47(61)23-4-2-6-26(49)14-23;;;;;/h2-22,58-59H,49H2,1H3,(H,50,60)(H,51,61)(H,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75);;;;;/q;5*+1/p-5
• InChIKey: GWUTVSJRONXQFI-UHFFFAOYSA-I