Tetrasodium 4-(Benzoylamino)-5-Hydroxy-6-[[1-Sulphonato-6-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]-2-Naphthyl]Azo]Naphthalene-1,7-Disulphonate
[CAS# 82199-13-1]

Identification

• Name: Tetrasodium 4-(Benzoylamino)-5-Hydroxy-6-[[1-Sulphonato-6-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]-2-Naphthyl]Azo]Naphthalene-1,7-Disulphonate
• Synonyms: Tetrasodium (6Z)-4-(Benzoylamino)-5-Oxo-6-[[1-Sulfonato-6-(2-Sulfonatooxyethylsulfonyl)-2-Naphthyl]Hydrazono]Naphthalene-1,7-Disulfonate; Tetrasodium (6Z)-5-Oxo-4-[(Oxo-Phenylmethyl)Amino]-6-[[1-Sulfonato-6-(2-Sulfonatooxyethylsulfonyl)-2-Naphthyl]Hydrazono]Naphthalene-1,7-Disulfonate; Tetrasodium (6Z)-4-(Benzoylamino)-5-Keto-6-[[6-(2-Sulfatoethylsulfonyl)-1-Sulfonato-2-Naphthyl]Hydrazono]Naphthalene-1,7-Disulfonate
• Molecular Formula: C₂₉H₁₉N₃Na₄O₁₇S₅
• Molecular Weight: 933.74
• CAS Registry Number: 82199-13-1
• EINECS: 279-915-4
• SMILES: C1=C([S](=O)(=O)CCO[S]([O-])(=O)=O)C=CC2=C1C=CC(=C2[S]([O-])(=O)=O)N\N=C4/C(=CC3=C([S]([O-])(=O)=O)C=CC(=C3C4=O)NC(=O)C5=CC=CC=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C29H23N3O17S5.4Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,31H,12-13H2,(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: PXMGZCHHZGWCHT-CICQTRKRSA-J