Sodium 6-Methyl-2'-[4-[[2-Oxo-1-[(Phenylamino)Carbonyl]Propyl]Azo]Phenyl][2,6'-Bibenzothiazole]-7-Sulphonate
[CAS# 10190-69-9]

Identification

• Name: Sodium 6-Methyl-2'-[4-[[2-Oxo-1-[(Phenylamino)Carbonyl]Propyl]Azo]Phenyl][2,6'-Bibenzothiazole]-7-Sulphonate
• Synonyms: Sodium 6-Methyl-2-[2-[4-[2-Oxo-1-(Phenylcarbamoyl)Propyl]Azophenyl]-1,3-Benzothiazol-6-Yl]-1,3-Benzothiazole-7-Sulfonate; Sodium 6-Methyl-2-[2-[4-[2-Oxo-1-[Oxo-(Phenylamino)Methyl]Propyl]Azophenyl]-1,3-Benzothiazol-6-Yl]-1,3-Benzothiazole-7-Sulfonate; Sodium 2-[2-[4-[2-Keto-1-(Phenylcarbamoyl)Propyl]Azophenyl]-1,3-Benzothiazol-6-Yl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
• Molecular Formula: C₃₁H₂₂N₅NaO₅S₃
• Molecular Weight: 663.72
• CAS Registry Number: 10190-69-9
• EINECS: 233-462-9
• SMILES: C2=C1N=C(SC1=C([S]([O-])(=O)=O)C(=C2)C)C4=CC=C3N=C(SC3=C4)C6=CC=C(N=NC(C(=O)NC5=CC=CC=C5)C(=O)C)C=C6.[Na+]
• InChI: 1S/C31H23N5O5S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-31(34-24)20-11-15-23-25(16-20)42-30(33-23)19-9-12-22(13-10-19)35-36-26(18(2)37)29(38)32-21-6-4-3-5-7-21;/h3-16,26H,1-2H3,(H,32,38)(H,39,40,41);/q;+1/p-1
• InChIKey: UOCPPEFICVBBME-UHFFFAOYSA-M