CAS 13186-45-3

Benzoic acid, 3,3′-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, sodium salt (1:3)

Description:

Benzoic acid, 3,3′-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, sodium salt (1:3), commonly referred to by its CAS number 13186-45-3, is a complex organic compound characterized by its sodium salt form. This substance features a benzoic acid backbone with additional functional groups that contribute to its chemical properties. It is typically soluble in water due to the presence of the sodium salt, which enhances its ionic character. The compound exhibits acidic properties, as indicated by the carboxylic acid groups, and may participate in various chemical reactions, including esterification and neutralization. Its structure suggests potential applications in pharmaceuticals or as a biochemical reagent, particularly due to the presence of multiple hydroxyl and carboxyl groups that can engage in hydrogen bonding. Additionally, the compound may exhibit antioxidant properties, making it of interest in food preservation and cosmetic formulations. Overall, its unique structural features and solubility profile make it a noteworthy substance in both industrial and research contexts.

Formula: C₂₂H₁₄O₉·3Na

InChI: 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);;;

InChI key: InChIKey=OCQJYKLFSCCEOT-UHFFFAOYSA-N

SMILES: C(C1=CC(C(O)=O)=C(O)C=C1)(C2=CC(C(O)=O)=C(O)C=C2)=C3C=C(C(O)=O)C(=O)C=C3.[Na]

Synonyms:

• Chrome Violet G
• Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-, trisodium salt
• C.I. Mordant Violet 39, trisodium salt
• Benzoic acid, 3,3′-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, sodium salt (1:3)
• C.I. Mordant Violet 39