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Substance Name: Trisodium 5-(acetylamino)-4-hydroxy-3-((4-(((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)naphthalene-2,7-disulphonate
RN: 80419-51-8
InChIKey: DPEUGRLBPCIGMU-HUVHLSCJSA-K

Molecular Formula

  • C27-H24-N4-O15-S4.3Na

Molecular Weight

  • 838.7099
 
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Names and Synonyms

Synonym

  • EINECS 279-463-8

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80419-51-8

System Generated Number

  • 0080419518

Molecular Formulas

Molecular Formula

  • C27-H24-N4-O15-S4.3Na

Molecular Formula Fragments

  • C27-H24-N4-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H24N4O15S4.3Na/c1-15(32)28-22-14-21(48(37,38)39)11-17-12-23(49(40,41)42)25(26(33)24(17)22)31-30-18-7-5-16(6-8-18)27(34)29-19-3-2-4-20(13-19)47(35,36)10-9-46-50(43,44)45;;;/h2-8,11-14,33H,9-10H2,1H3,(H,28,32)(H,29,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b31-30+;;;

InChIKey

DPEUGRLBPCIGMU-HUVHLSCJSA-K

Smiles

CC(=O)Nc1cc(cc2c1c(c(c(c2)S(=O)(=O)[O-])/N=N/c3ccc(cc3)C(=O)Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]