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Substance Name: EINECS 279-915-4
RN: 82199-13-1
InChIKey: IYSLRGNHTGJLSK-JKDBTGEISA-J

Classification Code

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

Molecular Formula

  • C29-H23-N3-O17-S5.4Na

Molecular Weight

  • 933.763
 
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Names and Synonyms

Results Name

  • EINECS 279-915-4

Synonym

  • EINECS 279-915-4

Systematic Names

  • 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-((1-sulfo-6-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)azo)-, tetrasodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-(2-(1-sulfo-6-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
  • Tetrasodium 4-(benzoylamino)-5-hydroxy-6-((1-sulphonato-6-((2-(sulphonatooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-1,7-disulphonate

Registry Numbers

CAS Registry Number

  • 82199-13-1

System Generated Number

  • 0082199131

Molecular Formulas

Molecular Formula

  • C29-H23-N3-O17-S5.4Na

Molecular Formula Fragments

  • C29-H23-N3-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H23N3O17S5.4Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b32-31+;;;;

InChIKey

IYSLRGNHTGJLSK-JKDBTGEISA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(ccc(c2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(c2ccc(cc2cc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])O)NC(c1ccccc1)=O)S(=O)(=O)[O-]