Tetrasodium 5-[[3-Carboxylato-4-[[(3Z)-6-Hydroxy-4-Oxo-3-[(4-Sulfonatophenyl)Hydrazinylidene]-1-Cyclohexa-1,5-Dienyl]Diazenyl]Phenyl]Methyl]-2-[[(3Z)-6-Hydroxy-4-Oxo-3-[(4-Sulfonatophenyl)Hydrazinylidene]-1-Cyclohexa-1,5-Dienyl]Diazenyl]Benzoate
[CAS# 102616-51-3]

Identification

• Name: Tetrasodium 5-[[3-Carboxylato-4-[[(3Z)-6-Hydroxy-4-Oxo-3-[(4-Sulfonatophenyl)Hydrazinylidene]-1-Cyclohexa-1,5-Dienyl]Diazenyl]Phenyl]Methyl]-2-[[(3Z)-6-Hydroxy-4-Oxo-3-[(4-Sulfonatophenyl)Hydrazinylidene]-1-Cyclohexa-1,5-Dienyl]Diazenyl]Benzoate
• Synonyms: Tetrasodium 5-[[3-Carboxylato-4-[[(3Z)-6-Hydroxy-4-Oxo-3-[(4-Sulfonatophenyl)Hydrazono]-1-Cyclohexa-1,5-Dienyl]Azo]Phenyl]Methyl]-2-[[(3Z)-6-Hydroxy-4-Oxo-3-[(4-Sulfonatophenyl)Hydrazono]-1-Cyclohexa-1,5-Dienyl]Azo]Benzoate; Tetrasodium 5-[3-Carboxylato-4-[[(3Z)-6-Hydroxy-4-Keto-3-[(4-Sulfonatophenyl)Hydrazono]-1-Cyclohexa-1,5-Dienyl]Azo]Benzyl]-2-[[(3Z)-6-Hydroxy-4-Keto-3-[(4-Sulfonatophenyl)Hydrazono]-1-Cyclohexa-1,5-Dienyl]Azo]Benzoate; 3,3'-Methylenebis(6-((2,4-Dihydroxy-5-((4-Sulphophenyl)Azo)Phenyl)Azo)Benzoic) Acid, Sodium Salt
• Molecular Formula: C₃₉H₂₄N₈Na₄O₁₄S₂
• Molecular Weight: 984.74
• CAS Registry Number: 102616-51-3
• SMILES: C4=C(CC3=CC(=C(N=NC2=CC(=N/NC1=CC=C([S]([O-])(=O)=O)C=C1)/C(=O)C=C2O)C=C3)C([O-])=O)C=CC(=C4C([O-])=O)N=NC6=CC(=N/NC5=CC=C([S]([O-])(=O)=O)C=C5)/C(=O)C=C6O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C39H28N8O14S2.4Na/c48-34-18-36(50)32(16-30(34)44-40-22-3-7-24(8-4-22)62(56,57)58)46-42-28-11-1-20(14-26(28)38(52)53)13-21-2-12-29(27(15-21)39(54)55)43-47-33-17-31(35(49)19-37(33)51)45-41-23-5-9-25(10-6-23)63(59,60)61;;;;/h1-12,14-19,40-41,50-51H,13H2,(H,52,53)(H,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4/b44-30-,45-31-,46-42?,47-43?
• InChIKey: KOHZFAPXPLVVFQ-CQVRBNDUSA-J