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Substance Name: ADS J1
RN: 70236-51-0
InChIKey: ALPKFOALTCELEH-XHRANVDRSA-J

Molecular Formula

  • C44-H36-N10-O16-S4.4Na

Molecular Weight

  • 1177.01
 
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Names and Synonyms

Name of Substance

  • ADS J1

Synonyms

  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthyl)amino-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
  • ADS-J1
  • EINECS 274-482-8

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((4-((5-hydroxy-6-(2-(2-methoxy-5-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 70236-51-0

System Generated Number

  • 0070236510

Molecular Formulas

Molecular Formula

  • C44-H36-N10-O16-S4.4Na

Molecular Formula Fragments

  • C44-H36-N10-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4/b53-51+,54-52+;;;;

InChIKey

ALPKFOALTCELEH-XHRANVDRSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1c(cc(c2c(cc(cc12)S(=O)(=O)[O-])\N=N\c1c(cc(c(c1)OC)Nc1nc(nc(n1)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(ccc(c1)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])Nc1ccccc1)C)O)S(=O)(=O)[O-]