Aurintricarboxylic Acid Trisodium Salt
[CAS# 13186-45-3]

Identification

• Name: Aurintricarboxylic Acid Trisodium Salt
• Synonyms: Trisodium 5-[(3-Carboxylato-4-Hydroxy-Phenyl)-(3-Carboxylato-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Hydroxy-Benzoate; Trisodium 5-[(3-Carboxylato-4-Hydroxy-Phenyl)-(3-Carboxylato-4-Keto-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Hydroxy-Benzoate; Benzoic Acid, 5-((3-Carboxy-4-Hydroxyphenyl)(3-Carboxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl)-2-Hydroxy-, Trisodium Salt
• Molecular Formula: C₂₂H₁₁Na₃O₉
• Molecular Weight: 488.29
• CAS Registry Number: 13186-45-3
• EINECS: 236-140-6
• SMILES: C3=C(C(C1=CC(=C(O)C=C1)C(=O)[O-])=C2C=C(C(=O)C=C2)C(=O)[O-])C=CC(=C3C(=O)[O-])O.[Na+].[Na+].[Na+]
• InChI: 1S/C22H14O9.3Na/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);;;/q;3*+1/p-3
• InChIKey: XWOVYFGIWQEHHR-UHFFFAOYSA-K

Properties

• Boiling point: 759.6°C at 760 mmHg (Cal.)
• Flash point: 427.1°C (Cal.)