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Substance Name: Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, ammonium sodium salt
RN: 124236-33-5
InChIKey: JYYCMOPWIDZLIH-JQCJJEDZSA-M

Molecular Formula

  • C22-H27-N3-O14-S3.x-H3-N.x-Na

Molecular Weight

  • 692.6731
 
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Names and Synonyms

  • Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, ammonium sodium salt

Registry Numbers

CAS Registry Number

  • 124236-33-5

System Generated Number

  • 0124236335

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O14-S3.x-H3-N.x-Na

Molecular Formula Fragments

  • C22-H27-N3-O14-S3
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C22H27N3O14S3.H3N.Na/c1-12-8-14(16(36-3)10-19(12)41(30,31)32)23-22(27)21(13(2)26)25-24-15-9-18(38-5)20(11-17(15)37-4)40(28,29)7-6-39-42(33,34)35;;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);1H3;/q;;+1/p-1/b25-24+;;

InChIKey

JYYCMOPWIDZLIH-JQCJJEDZSA-M

Smiles

S(=O)(=O)(c1cc(c(NC(=O)C(/N=N/c2cc(c(S(=O)(=O)CCOS(=O)(=O)[O-])cc2OC)OC)C(=O)C)cc1C)OC)[O-].[NH4+].[Na+]