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Substance Name: Trisodium 4-amino-3-((4-((4-((4-((2-(diethylamino)ethyl)amino)-2-hydroxyphenyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
RN: 94159-51-0
InChIKey: PJWATHPLRKHAFL-JUEQIRDVSA-K

Molecular Formula

  • C40-H40-N10-O11-S3.3Na

Molecular Weight

  • 998.9593
 
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Names and Synonyms

Synonym

  • EINECS 303-231-8

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94159-51-0

System Generated Number

  • 0094159510

Molecular Formulas

Molecular Formula

  • C40-H40-N10-O11-S3.3Na

Molecular Formula Fragments

  • C40-H40-N10-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H40N10O11S3.3Na/c1-3-50(4-2)19-18-42-28-14-16-30(32(51)22-28)47-44-27-12-10-25(11-13-27)43-31-17-15-29(23-33(31)62(53,54)55)46-48-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)41)49-45-26-8-6-5-7-9-26;;;/h5-17,20-23,42-43,51-52H,3-4,18-19,41H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b47-44+,48-46+,49-45+;;;

InChIKey

PJWATHPLRKHAFL-JUEQIRDVSA-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)O)cc2)cc1.[Na+].[Na+].[Na+]