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Substance Name: Trisodium 5-(acetylamino)-4-hydroxy-3-((4-(((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)naphthalene-2,7-disulphonate
RN: 84083-10-3
InChIKey: SHYRGBKFDOFNBB-YIWBEPSUSA-K

Molecular Formula

  • C28-H26-N4-O16-S4.3Na

Molecular Weight

  • 868.7357
 
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Names and Synonyms

Synonym

  • EINECS 282-058-9

Systematic Name

  • Trisodium 5-(acetylamino)-4-hydroxy-3-((4-(((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 84083-10-3

System Generated Number

  • 0084083103

Molecular Formulas

Molecular Formula

  • C28-H26-N4-O16-S4.3Na

Molecular Formula Fragments

  • C28-H26-N4-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H26N4O16S4.3Na/c1-15(33)29-22-14-20(50(38,39)40)11-17-12-24(51(41,42)43)26(27(34)25(17)22)32-31-18-5-3-16(4-6-18)28(35)30-21-13-19(7-8-23(21)47-2)49(36,37)10-9-48-52(44,45)46;;;/h3-8,11-14,34H,9-10H2,1-2H3,(H,29,33)(H,30,35)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

SHYRGBKFDOFNBB-YIWBEPSUSA-K

Smiles

CC(=O)Nc1cc(cc2c1c(c(c(c2)S(=O)(=O)[O-])/N=N/c3ccc(cc3)C(=O)Nc4cc(ccc4OC)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]