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Substance Name: Xylenol orange, tetrasodium salt
RN: 3618-43-7
UNII: 0549U815B1
InChIKey: FXYMNKLSOQONJB-UHFFFAOYSA-J

Molecular Formula

  • C31-H32-N2-O13-S.4Na

Molecular Weight

  • 760.589
 
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Names and Synonyms

Results Name

  • Xylenol orange, tetrasodium salt

Name of Substance

  • Xylenol Orange tetrasodium

Synonyms

  • EINECS 222-805-8
  • UNII-0549U815B1
  • Xylenol orange, tetrasodium salt

Systematic Names

  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt
  • Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide, tetrasodium salt
  • Tetrasodium N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bis(N-(carboxylatomethyl)aminoacetate) S,S-dioxide

Registry Numbers

CAS Registry Number

  • 3618-43-7

FDA UNII

  • 0549U815B1

Other Registry Numbers

  • 1034528-17-0
  • 116999-27-0
  • 430434-38-1

System Generated Number

  • 0003618437

Molecular Formulas

Molecular Formula

  • C31-H32-N2-O13-S.4Na

Molecular Formula Fragments

  • C31-H32-N2-O13-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H32N2O13S.4Na/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)46-47(31,44)45)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);;;;/q;4*+1/p-4

InChIKey

FXYMNKLSOQONJB-UHFFFAOYSA-J

Smiles

c12c(C(S(=O)(O2)=O)(c2cc(C)c(O)c(CN(CC(=O)[O-])CC(=O)[O-])c2)c2cc(C)c(O)c(CN(CC(=O)[O-])CC(=O)[O-])c2)cccc1.[Na+].[Na+].[Na+].[Na+]