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Substance Name: Semi-xylenol orange
RN: 19329-67-0
InChIKey: OGODTFKKGYRAQJ-UHFFFAOYSA-N

Note

  • Carboxylate anion which exhibits characteristic visible spectrum when attached to a metal.

Molecular Weight

  • 527.547
 
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Names and Synonyms

Name of Substance

  • Semi-xylenol orange

Synonym

  • Semixylenol orange

Systematic Name

  • Glycine, N-(carboxymethyl)-N-((2-hydroxy-5-(3-(4-hydroxy-3-methylphenyl)-3H-2,1-benzoxathiol-3-yl)-3-methylphenyl)methyl)-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 19329-67-0

System Generated Number

  • 0019329670

Structure Descriptors

InChI

1S/C26H25NO9S/c1-15-9-18(7-8-21(15)28)26(20-5-3-4-6-22(20)37(34,35)36-26)19-10-16(2)25(33)17(11-19)12-27(13-23(29)30)14-24(31)32/h3-11,28,33H,12-14H2,1-2H3,(H,29,30)(H,31,32)

InChIKey

OGODTFKKGYRAQJ-UHFFFAOYSA-N

Smiles

C(CN(Cc1c(c(cc(c1)[C@@]1(OS(c2c1cccc2)(=O)=O)c1cc(c(cc1)O)C)C)O)CC(=O)O)(=O)O