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CAS 62698-56-0

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Benzoic acid, 2-[2,7-bis[[bis(carboxymethyl)amino]methyl]-6-hydroxy-3-oxo-3H-xanthen-9-yl]-, sodium salt (1:4)

Description:
Benzoic acid, 2-[2,7-bis[[bis(carboxymethyl)amino]methyl]-6-hydroxy-3-oxo-3H-xanthen-9-yl]-, sodium salt (1:4), commonly referred to by its CAS number 62698-56-0, is a complex organic compound characterized by its structural features that include a benzoic acid moiety and a xanthenone derivative. This compound is notable for its multiple carboxymethyl groups, which enhance its solubility in water and contribute to its potential applications in biochemistry and pharmaceuticals. The presence of hydroxyl and carboxyl functional groups suggests that it may exhibit acidic properties and can participate in hydrogen bonding, influencing its reactivity and interaction with biological systems. As a sodium salt, it is likely to be more soluble in aqueous environments, making it suitable for various applications, including as a potential chelating agent or in drug formulation. Its complex structure may also impart unique optical properties, which could be explored in dye applications or as a fluorescent marker in biological studies.
Formula:C30H26N2O13·4Na
InChI:InChI=1S/C30H26N2O13.4Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)29(17-3-1-2-4-18(17)30(43)44)20-6-16(22(34)8-24(20)45-23)10-32(13-27(39)40)14-28(41)42;;;;/h1-8,33H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;
InChI key:InChIKey=JPHZZFOBRBVJHU-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C=2C=3C(OC=4C2C=C(CN(CC(O)=O)CC(O)=O)C(=O)C4)=CC(O)=C(CN(CC(O)=O)CC(O)=O)C3)C=CC=C1.[Na]
Synonyms:
  • Benzoic acid, 2-[2,7-bis[[bis(carboxymethyl)amino]methyl]-6-hydroxy-3-oxo-3H-xanthen-9-yl]-, sodium salt (1:4)
  • Benzoic acid, 2-[2,7-bis[[bis(carboxymethyl)amino]methyl]-6-hydroxy-3-oxo-3H-xanthen-9-yl]-, tetrasodium salt
  • Tetrasodium 2-(2-{[bis(carboxylatomethyl)amino]methyl}-7-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate
  • tetrasodium 2,2',2'',2'''-{[9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthene-2,7-diyl]bis(methanediylnitrilo)}tetraacetate
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