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Substance Name: 3-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-7-sulpho-1-naphthyl)azo)naphthalene-1,5-disulphonic acid, potassium sodium salt
RN: 85586-78-3
InChIKey: QVDGCNLMYUSMGU-VXLRKHAOSA-J

Molecular Formula

  • C33-H22-Cl-N9-O12-S4.x-K.x-Na

Molecular Weight

  • 1020.4492
 
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Names and Synonyms

Synonym

  • EINECS 287-884-3

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 3-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulfo-1-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)-, potassium sodium salt
  • 3-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-7-sulpho-1-naphthyl)azo)naphthalene-1,5-disulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 85586-78-3

System Generated Number

  • 0085586783

Molecular Formulas

Molecular Formula

  • C33-H22-Cl-N9-O12-S4.x-K.x-Na

Molecular Formula Fragments

  • C33-H22-Cl-N9-O12-S4
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C33H22ClN9O12S4.2K.2Na/c34-31-37-32(35)39-33(38-31)36-25-8-9-28(22-14-17(56(44,45)46)4-6-19(22)25)43-42-26-10-11-27(23-15-18(57(47,48)49)5-7-20(23)26)41-40-16-12-24-21(30(13-16)59(53,54)55)2-1-3-29(24)58(50,51)52;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4/b41-40+,43-42+;;;;

InChIKey

QVDGCNLMYUSMGU-VXLRKHAOSA-J

Smiles

c1cc2c(cc(cc2S(=O)(=O)[O-])/N=N/c3ccc(c4c3cc(cc4)S(=O)(=O)[O-])/N=N/c5ccc(c6c5cc(cc6)S(=O)(=O)[O-])Nc7nc(nc(n7)Cl)N)c(c1)S(=O)(=O)[O-].[Na+].[Na+].[K+].[K+]