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Substance Name: 4-Hydroxy-7-((((5-hydroxy-6-((4-methyl-3-sulphophenyl)azo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-(phenylazo)naphthalene-2-sulphonic acid, sodium salt
RN: 94108-99-3
InChIKey: QKVYUMKFYKINTJ-WFQXTUNASA-K

Molecular Formula

  • C34-H26-N6-O12-S3.x-Na

Molecular Weight

  • 872.7537
 
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Names and Synonyms

Synonym

  • EINECS 302-437-5

Systematic Name

  • 4-Hydroxy-7-((((5-hydroxy-6-((4-methyl-3-sulphophenyl)azo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-(phenylazo)naphthalene-2-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94108-99-3

System Generated Number

  • 0094108993

Molecular Formulas

Molecular Formula

  • C34-H26-N6-O12-S3.x-Na

Molecular Formula Fragments

  • C34-H26-N6-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H26N6O12S3.3Na/c1-18-7-8-24(17-27(18)53(44,45)46)38-40-31-29(55(50,51)52)16-20-14-23(10-12-26(20)33(31)42)36-34(43)35-22-9-11-25-19(13-22)15-28(54(47,48)49)30(32(25)41)39-37-21-5-3-2-4-6-21;;;/h2-17,41-42H,1H3,(H2,35,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b39-37+,40-38+;;;

InChIKey

QKVYUMKFYKINTJ-WFQXTUNASA-K

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2ccccc2)c(c2c(c1)cc(NC(=O)Nc1cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(S(=O)(=O)[O-])c(cc4)C)c(c3cc1)O)cc2)O.[Na+].[Na+].[Na+]