Trisodium 5-[[4-[[8-Amino-1-Hydroxy-7-[(4-Nitrophenyl)Azo]-3,6-Disulphonato-2-Naphthyl]Azo]Phenyl]Azo]Salicylate
[CAS# 67990-22-1]

Identification

• Name: Trisodium 5-[[4-[[8-Amino-1-Hydroxy-7-[(4-Nitrophenyl)Azo]-3,6-Disulphonato-2-Naphthyl]Azo]Phenyl]Azo]Salicylate
• Synonyms: Trisodium (3Z)-3-[(E)-[8-Amino-7-(4-Nitrophenyl)Azo-1-Oxo-4-(N'-Phenylhydrazino)-3,6-Disulfonato-2-Naphthylidene]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Trisodium (3Z)-3-[(E)-[8-Amino-7-(4-Nitrophenyl)Azo-1-Oxo-4-(N'-Phenylhydrazino)-3,6-Disulfonato-2-Naphthylidene]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Trisodium (3Z)-3-[(E)-[8-Amino-1-Keto-7-(4-Nitrophenyl)Azo-4-(N'-Phenylhydrazino)-3,6-Disulfonato-2-Naphthylidene]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₂₉H₁₇N₈Na₃O₁₂S₂
• Molecular Weight: 802.59
• CAS Registry Number: 67990-22-1
• EINECS: 268-045-0
• SMILES: C1=C4C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC2=CC=C([N+]([O-])=O)C=C2)C(=O)C(=N/N=C3\C=C(C(=O)C=C3)C([O-])=O)\C(=C4NNC5=CC=CC=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C29H20N8O12S2.3Na/c30-23-22-19(13-21(50(44,45)46)25(23)35-32-15-6-9-17(10-7-15)37(42)43)24(34-31-14-4-2-1-3-5-14)28(51(47,48)49)26(27(22)39)36-33-16-8-11-20(38)18(12-16)29(40)41;;;/h1-13,31,34H,30H2,(H,40,41)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b33-16-,35-32?,36-26+
• InChIKey: ZEMRFKDVYSTIBK-RCYHFQRESA-K