5-(Benzoylamino)-4-Hydroxy-3-[[1-Sulpho-6-[[2-(Sulphooxy)Ethyl]Sulphonyl]-2-Naphthyl]Azo]Naphthalene-2,7-Disulphonic Acid, Sodium Salt
[CAS# 85586-40-9]

Identification

• Name: 5-(Benzoylamino)-4-Hydroxy-3-[[1-Sulpho-6-[[2-(Sulphooxy)Ethyl]Sulphonyl]-2-Naphthyl]Azo]Naphthalene-2,7-Disulphonic Acid, Sodium Salt
• Synonyms: Tetrasodium (3Z)-5-(Benzoylamino)-4-Oxo-3-[[1-Sulfonato-6-(2-Sulfonatooxyethylsulfonyl)-2-Naphthyl]Hydrazono]Naphthalene-2,7-Disulfonate; Tetrasodium (3Z)-4-Oxo-5-[(Oxo-Phenylmethyl)Amino]-3-[[1-Sulfonato-6-(2-Sulfonatooxyethylsulfonyl)-2-Naphthyl]Hydrazono]Naphthalene-2,7-Disulfonate; Tetrasodium (3Z)-5-(Benzoylamino)-4-Keto-3-[[6-(2-Sulfatoethylsulfonyl)-1-Sulfonato-2-Naphthyl]Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₉H₁₉N₃Na₄O₁₇S₅
• Molecular Weight: 933.74
• CAS Registry Number: 85586-40-9
• EINECS: 287-842-4
• SMILES: C1=C([S](=O)(=O)CCO[S]([O-])(=O)=O)C=CC2=C1C=CC(=C2[S]([O-])(=O)=O)N\N=C5/C(=CC3=C(C(=CC(=C3)[S]([O-])(=O)=O)NC(=O)C4=CC=CC=C4)C5=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C29H23N3O17S5.4Na/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48;;;;/h1-9,12-15,31H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b32-26+
• InChIKey: LWOVLHCKRPSUIB-CICQTRKRSA-J