Trisodium 4-Hydroxy-5-[[1-Oxo-3-(Phenylsulphonyl)Propyl]Amino]-3-[[4-[[1-Oxo-3-(Phenylsulphonyl)Propyl]Amino]-2-Sulphonatophenyl]Azo]Naphthalene-2,7-Disulphonate
[CAS# 94249-17-9]

Identification

• Name: Trisodium 4-Hydroxy-5-[[1-Oxo-3-(Phenylsulphonyl)Propyl]Amino]-3-[[4-[[1-Oxo-3-(Phenylsulphonyl)Propyl]Amino]-2-Sulphonatophenyl]Azo]Naphthalene-2,7-Disulphonate
• Synonyms: Trisodium (3E)-4-Oxo-5-(3-Phenylsulfonylpropanoylamino)-3-[[4-(3-Phenylsulfonylpropanoylamino)-2-Sulfonato-Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3E)-4-Oxo-5-[(1-Oxo-3-Phenylsulfonylpropyl)Amino]-3-[[4-[(1-Oxo-3-Phenylsulfonylpropyl)Amino
• Molecular Formula: C₃₄H₂₇N₄Na₃O₁₆S₅
• Molecular Weight: 976.87
• CAS Registry Number: 94249-17-9
• EINECS: 304-391-1
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC(=O)CC[S](=O)(=O)C1=CC=CC=C1)C5=C2C=C([S]([O-])(=O)=O)C(=N/NC4=C([S]([O-])(=O)=O)C=C(NC(=O)CC[S](=O)(=O)C3=CC=CC=C3)C=C4)/C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C34H30N4O16S5.3Na/c39-30(13-15-55(42,43)23-7-3-1-4-8-23)35-22-11-12-26(28(19-22)58(49,50)51)37-38-33-29(59(52,53)54)18-21-17-25(57(46,47)48)20-27(32(21)34(33)41)36-31(40)14-16-56(44,45)24-9-5-2-6-10-24;;;/h1-12,17-20,37H,13-16H2,(H,35,39)(H,36,40)(H,46
• InChIKey: IEDVJAHSBRVXAN-FBTSLXNESA-K