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Substance Name: EINECS 281-869-5
RN: 84045-67-0
InChIKey: PLPYYJOKXLXXIR-WFQXTUNASA-K

Molecular Formula

  • C34-H26-N6-O12-S3.3Na

Molecular Weight

  • 872.7537
 
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Names and Synonyms

Results Name

  • EINECS 281-869-5

Synonym

  • EINECS 281-869-5

Systematic Name

  • Trisodium 4-hydroxy-7-((((5-hydroxy-6-((2-methyl-4-sulphonatophenyl)azo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-(phenylazo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 84045-67-0

System Generated Number

  • 0084045670

Molecular Formulas

Molecular Formula

  • C34-H26-N6-O12-S3.3Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C34H26N6O12S3.3Na/c1-18-13-24(53(44,45)46)9-12-27(18)38-40-31-29(55(50,51)52)17-20-15-23(8-11-26(20)33(31)42)36-34(43)35-22-7-10-25-19(14-22)16-28(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

PLPYYJOKXLXXIR-WFQXTUNASA-K

Smiles

Cc1cc(ccc1/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccccc6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]