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Substance Name: Procion brilliant blue hgr
RN: 16823-51-1
InChIKey: NSDSIQGBHACTLY-UHFFFAOYSA-N

Molecular Formula

  • C29-H20-Cl-N7-O11-S3

Molecular Weight

  • 774.166
 
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Names and Synonyms

Name of Substance

  • Procion brilliant blue hgr

Synonym

  • EINECS 240-844-9

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 16823-51-1

Other Registry Numbers

  • 12236-83-8
  • 12237-94-4
  • 39291-26-4
  • 75026-79-8
  • 95032-40-9

Related Registry Number

  • 23422-12-0 (tri-hydrochloride salt)

System Generated Number

  • 0016823511

Structure Descriptors

InChI

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

NSDSIQGBHACTLY-UHFFFAOYSA-N

Smiles

O=S(=O)(c1c(c2c(c(c1)Nc1ccc(c(c1)Nc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)O)Cl)S(=O)(=O)O)C(=O)c1c(cccc1)C2=O)N)O