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Substance Name: 7-((3-(Acetamido)benzoyl)amino)-4-hydroxy-3-((2-methyl-4-((2-methyl-4-sulphophenyl)azo)phenyl)azo)naphthalene-2-sulphonic acid, sodium salt
RN: 94108-93-7
InChIKey: GGAZSKSODPPSRK-FBBBJYKDSA-L

Molecular Formula

  • C33-H28-N6-O9-S2.x-Na

Molecular Weight

  • 760.7134
 
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Names and Synonyms

Synonym

  • EINECS 302-430-7

Systematic Name

  • 7-((3-(Acetamido)benzoyl)amino)-4-hydroxy-3-((2-methyl-4-((2-methyl-4-sulphophenyl)azo)phenyl)azo)naphthalene-2-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94108-93-7

System Generated Number

  • 0094108937

Molecular Formulas

Molecular Formula

  • C33-H28-N6-O9-S2.x-Na

Molecular Formula Fragments

  • C33-H28-N6-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H28N6O9S2.2Na/c1-18-13-25(36-37-29-12-9-26(14-19(29)2)49(43,44)45)8-11-28(18)38-39-31-30(50(46,47)48)17-22-16-24(7-10-27(22)32(31)41)35-33(42)21-5-4-6-23(15-21)34-20(3)40;;/h4-17,41H,1-3H3,(H,34,40)(H,35,42)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b37-36+,39-38+;;

InChIKey

GGAZSKSODPPSRK-FBBBJYKDSA-L

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2c(cc(/N=N/c3c(cc(S(=O)(=O)[O-])cc3)C)cc2)C)c(c2c(c1)cc(NC(=O)c1cc(NC(=O)C)ccc1)cc2)O.[Na+].[Na+]