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Substance Name: C.I. Reactive Blue 49
RN: 72927-99-2
InChIKey: ZUCXUTRTSQLRCV-UHFFFAOYSA-K

Molecular Formula

  • C32-H26-Cl-N7-O11-S3.3Na

Molecular Weight

  • 882.193
 
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Names and Synonyms

Results Name

  • C.I. Reactive Blue 49

Synonyms

  • 2-Anthracenesulfonic acid, 1-amino-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-3-sulfophenyl)amino)-, trisodium salt
  • C.I. Reactive Blue 49
  • EINECS 277-040-2

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt
  • C.I. Reactive Blue 49
  • Trisodium 1-amino-4-((3-((4-chloro-6-((3-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 72927-99-2

Other Registry Number

  • 12236-92-9

System Generated Number

  • 0072927992

Molecular Formulas

Molecular Formula

  • C32-H26-Cl-N7-O11-S3.3Na

Molecular Formula Fragments

  • C32-H26-Cl-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-9-4-5-10-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-7-6-8-17(11-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3

InChIKey

ZUCXUTRTSQLRCV-UHFFFAOYSA-K

Smiles

[Na+].[Na+].[Na+].c1(c(cc(c2C(c3ccccc3C(c12)=O)=O)Nc1c(c(c(c(c1C)S(=O)(=O)[O-])C)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-])N