Trisodium 3-[(3-Carboxylato-4-Hydroxy-5-Methyl-Phenyl)-(2-Sulfonatophenyl)Methylidene]-5-Methyl-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate
[CAS# 98981-26-1]

Identification

• Name: Trisodium 3-[(3-Carboxylato-4-Hydroxy-5-Methyl-Phenyl)-(2-Sulfonatophenyl)Methylidene]-5-Methyl-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate
• Synonyms: Trisodium 5-[(Z)-(3-Carboxylato-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)-(2-Sulfonatophenyl)Methyl]-2-Hydroxy-3-Methylbenzoate; Trisodium 5-[(3-Carboxylato-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)-(2-Sulfonatophenyl)Methyl]-2-Hydroxy-3-Methyl-Benzoat
• Molecular Formula: C₂₃H₁₅Na₃O₉S
• Molecular Weight: 536.40
• CAS Registry Number: 98981-26-1
• SMILES: C1=CC=CC(=C1\C(C2=CC(=C(C(=C2)C(=O)[O-])O)C)=C3/C=C(C(=O)C(=C3)C)C(=O)[O-])[S](=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14-
• InChIKey: FFUMCSDSJNSMQH-LXGUGECZSA-K

Safety Data

• Safety Description: Safety glasses. Do not breathe dust.

References

• (1): John D. Wright and Neil A. C. Higginson. Effects of matrix variations on pH and Cu sensing properties of sol–gel entrapped Eriochrome Cyanine R, J. Mater. Chem., 2004, 14, 201.