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Substance Name: 1,7-Anthracenedisulfonic acid, 8-amino-5-((4-(2-(4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
RN: 70865-34-8
InChIKey: JHPUALQQSSQIKL-MDMSKSMXSA-K

Molecular Formula

  • C29-H18-Cl2-N8-O11-S3.3Na

Molecular Weight

  • 887.557
 
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Names and Synonyms

Synonyms

  • 8-Amino-5-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)phenyl)amino)-9,10-dihydro-9,10-dioxo-1,7-anthracenedisulfonic acid, trisodium salt
  • EINECS 274-962-7

Systematic Names

  • 1,7-Anthracenedisulfonic acid, 8-amino-5-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)phenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt
  • 1,7-Anthracenedisulfonic acid, 8-amino-5-((4-(2-(4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
  • Trisodium 8-amino-5-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)phenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate

Registry Numbers

CAS Registry Number

  • 70865-34-8

System Generated Number

  • 0070865348

Molecular Formulas

Molecular Formula

  • C29-H18-Cl2-N8-O11-S3.3Na

Molecular Formula Fragments

  • C29-H18-Cl2-N8-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H18Cl2N8O11S3.3Na/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)25(40)15-2-1-3-18(51(42,43)44)21(15)26(23)41;;;/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37);;;/q;3*+1/p-3/b39-38+;;;

InChIKey

JHPUALQQSSQIKL-MDMSKSMXSA-K

Smiles

[Na+].[Na+].[Na+].c1(cccc2C(c3c(cc(c(c3C(c12)=O)N)S(=O)(=O)[O-])Nc1ccc(cc1)\N=N\c1c(cc(cc1)Nc1nc(nc(n1)Cl)Cl)S(=O)(=O)[O-])=O)S(=O)(=O)[O-]