5-Methoxy-4-[[2-[[2-Methoxy-5-Methyl-4-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Azo]-1,3-Dioxobutyl]Amino]-2-Methylbenzenesulfonic Acid
[CAS# 23807-34-3]

Identification

• Name: 5-Methoxy-4-[[2-[[2-Methoxy-5-Methyl-4-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Azo]-1,3-Dioxobutyl]Amino]-2-Methylbenzenesulfonic Acid
• Synonyms: 5-Methoxy-4-[[2-[2-Methoxy-5-Methyl-4-(2-Sulfooxyethylsulfonyl)Phenyl]Azo-3-Oxo-Butanoyl]Amino]-2-Methyl-Benzenesulfonic Acid; 5-Methoxy-4-[[2-[2-Methoxy-5-Methyl-4-(2-Sulfooxyethylsulfonyl)Phenyl]Azo-1,3-Dioxobutyl]Amino]-2-Methylbenzenesulfonic Acid; 4-[[3-Keto-2-[2-Methoxy-5-Methyl-4-(2-Sulfoxyethylsulfonyl)Phenyl]Azo-Butanoyl]Amino]-5-Methoxy-2-Methyl-Benzenesulfonic Acid
• Molecular Formula: C₂₂H₂₇N₃O₁₃S₃
• Molecular Weight: 637.65
• CAS Registry Number: 23807-34-3
• SMILES: C1=C(C(=CC(=C1[S](=O)(=O)O)C)NC(=O)C(N=NC2=CC(=C(C=C2OC)[S](=O)(=O)CCO[S](=O)(=O)O)C)C(=O)C)OC
• InChI: 1S/C22H27N3O13S3/c1-12-9-16(18(37-5)10-19(12)39(28,29)7-6-38-41(33,34)35)24-25-21(14(3)26)22(27)23-15-8-13(2)20(40(30,31)32)11-17(15)36-4/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35)
• InChIKey: OJMKGXPNUQLRAB-UHFFFAOYSA-N

Properties

• Density: 1.562g/cm³ (Cal.)