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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-(2-(2,4-dihydroxy(hydroxymethyl)-5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)phenyl)diazenyl)-5-hydroxy-, sodium salt (1:?)
RN: 114839-95-1
InChIKey: VEUYZMXTVQEGDR-STMNGTSKSA-K

Molecular Formula

  • C29-H22-N6-O15-S3.x-Na

Molecular Weight

  • 856.6641
 
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Names and Synonyms

Synonym

  • 2,7-Naphthalenedisulfonic acid, 4-((2,4-dihydroxy(hydroxymethyl)phenyl)azo)-5-hydroxy-, coupled with diazotized 2-((4-aminophenyl)amino)-5-nitrobenzenesulfonic acid, sodium salts

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-((2,4-dihydroxy(hydroxymethyl)-5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)phenyl)azo)-5-hydroxy-, sodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-(2-(2,4-dihydroxy(hydroxymethyl)-5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)phenyl)diazenyl)-5-hydroxy-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 114839-95-1

System Generated Number

  • 0114839951

Molecular Formulas

Molecular Formula

  • C29-H22-N6-O15-S3.x-Na

Molecular Formula Fragments

  • C29-H22-N6-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H22N6O15S3.3Na/c36-13-20-28(38)23(33-31-16-3-1-15(2-4-16)30-21-6-5-17(35(40)41)9-26(21)53(48,49)50)12-24(29(20)39)34-32-22-10-18(51(42,43)44)7-14-8-19(52(45,46)47)11-25(37)27(14)22;;;/h1-12,30,36-39H,13H2,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b33-31+,34-32+;;;

InChIKey

VEUYZMXTVQEGDR-STMNGTSKSA-K

Smiles

S(=O)(=O)(c1cc([N+](=O)[O-])ccc1Nc1ccc(/N=N/c2c(c(c(c(/N=N/c3c4c(cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])c3)O)c2)O)CO)O)cc1)[O-].[Na+].[Na+].[Na+]