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Substance Name: Xylenol orange
RN: 1611-35-4
UNII: S2VDY878QD
InChIKey: ORZHVTYKPFFVMG-UHFFFAOYSA-N

Note

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

Molecular Formula

  • C31-H32-N2-O13-S

Molecular Weight

  • 672.6608
 

Classification Codes

  • Coloring Agents
  • Fluorescent Dyes
  • Indicators and Reagents
  • Luminescent Agents
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Names and Synonyms

Name of Substance

  • Xylenol orange

Synonyms

  • 3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein
  • EINECS 216-553-8
  • m-Cresolphthalexon S
  • NSC 324982
  • o-Cresolphthalexon S
  • UNII-S2VDY878QD
  • Xylenol orange

Systematic Names

  • Acetic acid, (3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, S,S-dioxide (8CI)
  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-
  • Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide
  • N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxy methyl)glycine) S,S-dioxide
  • Xylenol orange

Registry Numbers

CAS Registry Number

  • 1611-35-4

FDA UNII

  • S2VDY878QD

Other Registry Numbers

  • 3117-46-2
  • 59764-31-7
  • 6905-79-9

System Generated Number

  • 0001611354

Structure Descriptors

InChI

1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)

InChIKey

ORZHVTYKPFFVMG-UHFFFAOYSA-N

Smiles

S1(OC(c2cc(CN(CC(=O)O)CC(=O)O)c(c(c2)C)O)(c2cc(CN(CC(=O)O)CC(=O)O)c(c(c2)C)O)c2c1cccc2)(=O)=O