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Substance Name: Tetrasodium 4-amino-5-hydroxy-6-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonate
RN: 85959-29-1
InChIKey: XFFMTXSFQAZAMM-YUTGSOKGSA-J

Molecular Formula

  • C28-H29-N5-O20-S6.4Na

Molecular Weight

  • 1035.8765
 
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Names and Synonyms

Synonym

  • EINECS 289-021-6

Systematic Name

  • Tetrasodium 4-amino-5-hydroxy-6-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85959-29-1

System Generated Number

  • 0085959291

Molecular Formulas

Molecular Formula

  • C28-H29-N5-O20-S6.4Na

Molecular Formula Fragments

  • C28-H29-N5-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H29N5O20S6.4Na/c1-15-11-19(20(51-2)14-21(15)55(37,38)10-8-53-59(48,49)50)31-33-27-23(57(42,43)44)13-16-12-22(56(39,40)41)26(25(29)24(16)28(27)34)32-30-17-3-5-18(6-4-17)54(35,36)9-7-52-58(45,46)47;;;;/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4/b32-30+,33-31+;;;;

InChIKey

XFFMTXSFQAZAMM-YUTGSOKGSA-J

Smiles

Cc1cc(c(cc1S(=O)(=O)CCOS(=O)(=O)[O-])OC)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]