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Substance Name: Sodium 4-((4-((4-(2-hydroxybutoxy)-o-tolyl)azo)phenyl)amino)-3-nitro-N-(phenylsulphonyl)benzenesulphonamidate
RN: 83221-39-0
InChIKey: PWNQNLCQTKXIAJ-GLDAUVFXSA-N

Molecular Formula

  • C29-H29-N5-O8-S2.Na

Molecular Weight

  • 663.705
 
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Names and Synonyms

Synonym

  • EINECS 280-217-7

Systematic Name

  • Sodium 4-((4-((4-(2-hydroxybutoxy)-o-tolyl)azo)phenyl)amino)-3-nitro-N-(phenylsulphonyl)benzenesulphonamidate

Registry Numbers

CAS Registry Number

  • 83221-39-0

System Generated Number

  • 0083221390

Molecular Formulas

Molecular Formula

  • C29-H29-N5-O8-S2.Na

Molecular Formula Fragments

  • C29-H29-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H29N5O8S2.Na.H/c1-3-23(35)19-42-24-13-15-27(20(2)17-24)32-31-22-11-9-21(10-12-22)30-28-16-14-26(18-29(28)34(36)37)44(40,41)33-43(38,39)25-7-5-4-6-8-25;;/h4-18,23,30,33,35H,3,19H2,1-2H3;;/b32-31+;;

InChIKey

PWNQNLCQTKXIAJ-GLDAUVFXSA-N

Smiles

CCC(COc1ccc(c(c1)C)/N=N/c2ccc(cc2)Nc3ccc(cc3[N+](=O)[O-])S(=O)(=O)NS(=O)(=O)c4ccccc4)O.[NaH]