Trisodium 2-[4-[2-[4-[[1-[[(2-Methoxyphenyl)Amino]Carbonyl]-2-Oxopropyl]Azo]-2-Sulphonatophenyl]Vinyl]-3-Sulphonatophenyl]-2H-Naphtho[1,2-d]Triazole-5-Sulphonate
[CAS# 63543-86-2]

Identification

• Name: Trisodium 2-[4-[2-[4-[[1-[[(2-Methoxyphenyl)Amino]Carbonyl]-2-Oxopropyl]Azo]-2-Sulphonatophenyl]Vinyl]-3-Sulphonatophenyl]-2H-Naphtho[1,2-d]Triazole-5-Sulphonate
• Synonyms: Trisodium 2-[4-[(E)-2-[4-[1-[(2-Methoxyphenyl)Carbamoyl]-2-Oxo-Propyl]Azo-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Benzo[G]Benzotriazole-5-Sulfonate; Trisodium 2-[4-[(E)-2-[4-[1-[[(2-Methoxyphenyl)Amino]-Oxomethyl]-2-Oxopropyl]Azo-2-Sulfonatophenyl]Vinyl]-3-Sulfonatophenyl]-5-Benzo[G]Benzotriazolesulfonate; Trisodium 2-[4-[(E)-2-[4-[2-Keto-1-[(2-Methoxyphenyl)Carbamoyl]Propyl]Azo-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Benzo[G]Benzotriazole-5-Sulfonate
• Molecular Formula: C₃₅H₂₅N₆Na₃O₁₂S₃
• Molecular Weight: 886.76
• CAS Registry Number: 63543-86-2
• EINECS: 264-302-6
• SMILES: C1=C([S]([O-])(=O)=O)C6=C(C2=N[N](N=C12)C3=CC=C(C(=C3)[S]([O-])(=O)=O)\C=C\C5=CC=C(N=NC(C(=O)NC4=CC=CC=C4OC)C(=O)C)C=C5[S]([O-])(=O)=O)C=CC=C6.[Na+].[Na+].[Na+]
• InChI: 1S/C35H28N6O12S3.3Na/c1-20(42)33(35(43)36-27-9-5-6-10-29(27)53-2)38-37-23-15-13-21(30(17-23)54(44,45)46)11-12-22-14-16-24(18-31(22)55(47,48)49)41-39-28-19-32(56(50,51)52)25-7-3-4-8-26(25)34(28)40-41;;;/h3-19,33H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b12-11+,38-37?
• InChIKey: ZLYCTBKZFLWFEV-FBFWOGEFSA-K