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Substance Name: Benzenesulfonic acid, 5-methoxy-4-((2-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-2-methyl-
RN: 23807-34-3
InChIKey: OJMKGXPNUQLRAB-OCOZRVBESA-N

Molecular Formula

  • C22-H27-N3-O13-S3

Molecular Weight

  • 637.661
 
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Names and Synonyms

Synonym

  • 4-(2-((4-((2-Hydroxyethyl)sulfonyl)-6-methoxy-m-tolyl)azo)acetoacetamido)-5-methoxy-o-toluenesulfonic acid, hydrogen sulfate (ester)

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 23807-34-3

System Generated Number

  • 0023807343

Structure Descriptors

InChI

1S/C22H27N3O13S3/c1-12-9-16(18(37-5)10-19(12)39(28,29)7-6-38-41(33,34)35)24-25-21(14(3)26)22(27)23-15-8-13(2)20(40(30,31)32)11-17(15)36-4/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35)/b25-24+

InChIKey

OJMKGXPNUQLRAB-OCOZRVBESA-N

Smiles

O=C(Nc1c(OC)cc(S(=O)(=O)O)c(C)c1)[C@@H](\N=N\c1c(OC)cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)c1)C(=O)C