5-(Benzoylamino)-4-Hydroxy-1-[[4-[[[4-[(4-Sulfophenyl)Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-2,7-Naphthalenedisulfonic Acid Trisodium Salt
[CAS# 6949-17-3]

Identification

• Name: 5-(Benzoylamino)-4-Hydroxy-1-[[4-[[[4-[(4-Sulfophenyl)Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-2,7-Naphthalenedisulfonic Acid Trisodium Salt
• Synonyms: Trisodium (1Z)-5-(Benzoylamino)-4-Oxo-1-[[4-[[4-(4-Sulfonatophenyl)Azophenyl]Carbamoyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (1Z)-4-Oxo-5-[(Oxo-Phenylmethyl)Amino]-1-[[4-[Oxo-[[4-(4-Sulfonatophenyl)Azophenyl]Amino]Methyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (1Z)-5-(Benzoylamino)-4-Keto-1-[[4-[[4-(4-Sulfonatophenyl)Azophenyl]Carbamoyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₆H₂₃N₆Na₃O₁₂S₃
• Molecular Weight: 896.76
• CAS Registry Number: 6949-17-3
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC(=O)C1=CC=CC=C1)C6=C2C(=N/NC3=CC=C(C=C3)C(=O)NC5=CC=C(N=NC4=CC=C([S]([O-])(=O)=O)C=C4)C=C5)/C(=CC6=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C36H26N6O12S3.3Na/c43-31-20-32(57(52,53)54)34(29-18-28(56(49,50)51)19-30(33(29)31)38-36(45)21-4-2-1-3-5-21)42-41-24-8-6-22(7-9-24)35(44)37-23-10-12-25(13-11-23)39-40-26-14-16-27(17-15-26)55(46,47)48;;;/h1-20,41H,(H,37,44)(H,38,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b40-39?,42-34-
• InChIKey: AYJACBXUPSFCKG-FUNDMKFYSA-K