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Substance Name: Trisodium 4-amino-3-((4-((4-((2-amino-4-((2-(diethylamino)ethyl)amino)phenyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
RN: 94159-52-1
InChIKey: RZFNZMZCBYUAEG-GRYBQVOOSA-K

Molecular Formula

  • C40-H41-N11-O10-S3.3Na

Molecular Weight

  • 997.9752
 
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Names and Synonyms

Synonym

  • EINECS 303-232-3

Systematic Name

  • Trisodium 4-amino-3-((4-((4-((2-amino-4-((2-(diethylamino)ethyl)amino)phenyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 94159-52-1

System Generated Number

  • 0094159521

Molecular Formulas

Molecular Formula

  • C40-H41-N11-O10-S3.3Na

Molecular Formula Fragments

  • C40-H41-N11-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H41N11O10S3.3Na/c1-3-51(4-2)19-18-43-28-14-16-31(30(41)22-28)48-45-27-12-10-25(11-13-27)44-32-17-15-29(23-33(32)62(53,54)55)47-49-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)42)50-46-26-8-6-5-7-9-26;;;/h5-17,20-23,43-44,52H,3-4,18-19,41-42H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b48-45+,49-47+,50-46+;;;

InChIKey

RZFNZMZCBYUAEG-GRYBQVOOSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1ccccc1)O)N)/N=N/c1cc(S(=O)(=O)[O-])c(Nc2ccc(/N=N/c3c(cc(NCCN(CC)CC)cc3)N)cc2)cc1.[Na+].[Na+].[Na+]