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Substance Name: Cibacron blue 3GA
RN: 84166-13-2
InChIKey: YKCWQPZFAFZLBI-UHFFFAOYSA-N

Molecular Formula

  • C29-H20-Cl-N7-O11-S3

Molecular Weight

  • 774.166
 
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Names and Synonyms

Results Name

  • Cibacron blue 3GA

Synonym

  • Cibacron blue 3GA

Systematic Name

  • 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-

Registry Numbers

CAS Registry Number

  • 84166-13-2

System Generated Number

  • 0084166132

Structure Descriptors

InChI

1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)

InChIKey

YKCWQPZFAFZLBI-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O