Azanium Sodium 2-[4-[1-[(2-Methoxy-5-Methyl-4-Sulfonatophenyl)Amino]-1,3-Dioxobutan-2-Yl]Diazenylphenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
[CAS# 72705-24-9]

Identification

• Name: Azanium Sodium 2-[4-[1-[(2-Methoxy-5-Methyl-4-Sulfonatophenyl)Amino]-1,3-Dioxobutan-2-Yl]Diazenylphenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
• Synonyms: Ammonium Sodium 2-[4-[1-[(2-Methoxy-5-Methyl-4-Sulfonato-Phenyl)Carbamoyl]-2-Oxo-Propyl]Azophenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Ammonium Sodium 2-[4-[1-[[(2-Methoxy-5-Methyl-4-Sulfonatophenyl)Amino]-Oxomethyl]-2-Oxopropyl]Azophenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Ammonium Sodium 2-[4-[2-Keto-1-[(2-Methoxy-5-Methyl-4-Sulfonato-Phenyl)Carbamoyl]Propyl]Azophenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
• Molecular Formula: C₂₆H₂₆N₅NaO₉S₃
• Molecular Weight: 671.69
• CAS Registry Number: 72705-24-9
• EINECS: 276-770-9
• SMILES: C1=CC(=C([S]([O-])(=O)=O)C2=C1N=C(S2)C4=CC=C(N=NC(C(=O)NC3=C(OC)C=C([S]([O-])(=O)=O)C(=C3)C)C(=O)C)C=C4)C.[Na+].[NH4+]
• InChI: 1S/C26H24N4O9S3.H3N.Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);1H3;/q;;+1/p-1
• InChIKey: BPSOMXDZJFRMBW-UHFFFAOYSA-M