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Substance Name: Benzenesulfonic acid, 4-((2-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-
RN: 82391-15-9
InChIKey: PFHABTXROYOMKR-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C22-H27-N3-O14-S3

Molecular Weight

  • 653.6603
 
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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-
  • Benzenesulfonic acid, 4-((2-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 82391-15-9

System Generated Number

  • 0082391159

Structure Descriptors

InChI

1S/C22H27N3O14S3/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)

InChIKey

PFHABTXROYOMKR-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=Nc2cc(c(cc2OC)S(=O)(=O)CCOS(=O)(=O)O)OC