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Substance Name: Trisodium 5-(acetylamino)-4-hydroxy-3-((2-methoxy-5-methyl-4-((4-nitro-2-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate
RN: 84583-92-6
InChIKey: MSKPSYHSTBZRNV-QNAXCTTKSA-K

Molecular Formula

  • C26-H22-N6-O14-S3.3Na

Molecular Weight

  • 804.6321
 
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Names and Synonyms

Synonym

  • EINECS 283-245-8

Systematic Name

  • Trisodium 5-(acetylamino)-4-hydroxy-3-((2-methoxy-5-methyl-4-((4-nitro-2-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 84583-92-6

System Generated Number

  • 0084583926

Molecular Formulas

Molecular Formula

  • C26-H22-N6-O14-S3.3Na

Molecular Formula Fragments

  • C26-H22-N6-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H22N6O14S3.3Na/c1-12-6-19(21(46-3)11-18(12)29-28-17-5-4-15(32(35)36)9-22(17)48(40,41)42)30-31-25-23(49(43,44)45)8-14-7-16(47(37,38)39)10-20(27-13(2)33)24(14)26(25)34;;;/h4-11,34H,1-3H3,(H,27,33)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b29-28+,31-30+;;;

InChIKey

MSKPSYHSTBZRNV-QNAXCTTKSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(cc(S(=O)(=O)[O-])cc2c1)NC(=O)C)O)/N=N/c1c(cc(/N=N/c2c(S(=O)(=O)[O-])cc([N+](=O)[O-])cc2)c(c1)C)OC.[Na+].[Na+].[Na+]