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Substance Name: 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1,3,6-trisulphonic acid, ammonium sodium salt
RN: 94213-52-2
InChIKey: FBBCXJHBXNDMBN-VXLRKHAOSA-L

Molecular Formula

  • C33-H22-Cl-N9-O12-S4.x-H3-N.x-Na

Molecular Weight

  • 978.3304
 
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Names and Synonyms

Synonym

  • EINECS 303-756-2

Systematic Name

  • 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1,3,6-trisulphonic acid, ammonium sodium salt

Registry Numbers

CAS Registry Number

  • 94213-52-2

System Generated Number

  • 0094213522

Molecular Formulas

Molecular Formula

  • C33-H22-Cl-N9-O12-S4.x-H3-N.x-Na

Molecular Formula Fragments

  • C33-H22-Cl-N9-O12-S4
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C33H22ClN9O12S4.2H3N.2Na/c34-31-37-32(35)39-33(38-31)36-24-8-9-27(22-13-16(56(44,45)46)5-6-20(22)24)41-40-25-10-11-26(19-4-2-1-3-18(19)25)42-43-30-23-14-17(57(47,48)49)15-29(59(53,54)55)21(23)7-12-28(30)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);2*1H3;;/q;;;2*+1/p-2/b41-40+,43-42+;;;;

InChIKey

FBBCXJHBXNDMBN-VXLRKHAOSA-L

Smiles

S(=O)(=O)(c1c(c2c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2)cc1)/N=N/c1c2c(c(/N=N/c3c4c(c(Nc5nc(nc(n5)Cl)N)cc3)ccc(S(=O)(=O)[O-])c4)cc1)cccc2)[O-].[NH4+].[NH4+].[Na+].[Na+]