4-[[2-[[2,5-Dimethoxy-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-1,3-Dioxobutyl]Amino]-5-Methoxy-2-Methylbenzenesulphonic Acid, Sodium Salt
[CAS# 94158-87-9]

Identification

• Name: 4-[[2-[[2,5-Dimethoxy-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-1,3-Dioxobutyl]Amino]-5-Methoxy-2-Methylbenzenesulphonic Acid, Sodium Salt
• Synonyms: Disodium 4-[[2-[2,5-Dimethoxy-4-(2-Sulfonatooxyethylsulfonyl)Phenyl]Azo-3-Oxo-Butanoyl]Amino]-5-Methoxy-2-Methyl-Benzenesulfonate; Disodium 4-[[2-[2,5-Dimethoxy-4-(2-Sulfonatooxyethylsulfonyl)Phenyl]Azo-1,3-Dioxobutyl]Amino]-5-Methoxy-2-Methylbenzenesulfon
• Molecular Formula: C₂₂H₂₅N₃Na₂O₁₄S₃
• Molecular Weight: 697.61
• CAS Registry Number: 94158-87-9
• EINECS: 303-161-8
• SMILES: C1=C(OC)C(=CC(=C1[S](=O)(=O)CCO[S]([O-])(=O)=O)OC)N=NC(C(=O)NC2=C(OC)C=C([S]([O-])(=O)=O)C(=C2)C)C(=O)C.[Na+].[Na+]
• InChI: 1S/C22H27N3O14S3.2Na/c1-12-8-14(16(36-3)10-19(12)41(30,31)32)23-22(27)21(13(2)26)25-24-15-9-18(38-5)20(11-17(15)37-4)40(28,29)7-6-39-42(33,34)35;;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
• InChIKey: TYTRTJJMRRUYPK-UHFFFAOYSA-L