5-[[1-Hydroxy-6-(Phenylamino) -3-Sulfo-2-Naphthalenyl]Azo]-8-[[6-Sulfo-4-[(3-Sulfophenyl)Azo]-1-Naphthalenyl]Azo]-2-Naphthalenesulfonic Acid Sodium Salt
[CAS# 72245-54-6]

Identification

• Name: 5-[[1-Hydroxy-6-(Phenylamino) -3-Sulfo-2-Naphthalenyl]Azo]-8-[[6-Sulfo-4-[(3-Sulfophenyl)Azo]-1-Naphthalenyl]Azo]-2-Naphthalenesulfonic Acid Sodium Salt
• Synonyms: Tetrasodium (3Z)-4-Oxo-7-(Phenylamino)-3-[[6-Sulfonato-4-[[6-Sulfonato-4-(3-Sulfonatophenyl)Azo-1-Naphthyl]Azo]-1-Naphthyl]Hydrazono]Naphthalene-2-Sulfonate; Tetrasodium (3Z)-4-Oxo-7-(Phenylamino)-3-[[6-Sulfonato-4-[[6-Sulfonato-4-(3-Sulfonatophenyl)Azo-1-Naphthyl]Azo]-1-Naphthyl]Hydrazono]-2-Naphthalenesulfonate; Tetrasodium (3Z)-4-Keto-7-(Phenylamino)-3-[[6-Sulfonato-4-[[6-Sulfonato-4-(3-Sulfonatophenyl)Azo-1-Naphthyl]Azo]-1-Naphthyl]Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₄₂H₂₅N₇Na₄O₁₃S₄
• Molecular Weight: 1055.90
• CAS Registry Number: 72245-54-6
• SMILES: C4=C([S]([O-])(=O)=O)C=CC5=C(N\N=C1/C(=CC2=C(C1=O)C=CC(=C2)NC3=CC=CC=C3)[S]([O-])(=O)=O)C=CC(=C45)N=NC7=C8C(=C(N=NC6=CC(=CC=C6)[S]([O-])(=O)=O)C=C7)C=C([S]([O-])(=O)=O)C=C8.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H29N7O13S4.4Na/c50-42-31-12-9-26(43-25-5-2-1-3-6-25)19-24(31)20-40(66(60,61)62)41(42)49-48-37-16-18-39(35-23-30(65(57,58)59)11-14-33(35)37)47-46-36-15-17-38(34-22-29(64(54,55)56)10-13-32(34)36)45-44-27-7-4-8-28(21-27)63(51,52)53;;;;/h1-23,43,48H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b45-44?,47-46?,49-41+
• InChIKey: XMLKCFLTJZXRRG-BOCFNKAASA-J