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Substance Name: Pentasodium 3-((4-((4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)naphthalene-1,5-disulphonate
RN: 81430-40-2
InChIKey: WTCMKSCWAMXJGO-UHFFFAOYSA-I

Molecular Formula

  • C41-H30-Cl-N9-O18-S6.5Na

Molecular Weight

  • 1274.4925
 
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Names and Synonyms

Synonym

  • EINECS 279-762-3

Systematic Name

  • Pentasodium 3-((4-((4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 81430-40-2

System Generated Number

  • 0081430402

Molecular Formulas

Molecular Formula

  • C41-H30-Cl-N9-O18-S6.5Na

Molecular Formula Fragments

  • C41-H30-Cl-N9-O18-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H30ClN9O18S6.5Na/c42-39-45-40(43-22-4-1-5-24(18-22)70(52,53)17-16-69-75(66,67)68)47-41(46-39)44-34-15-14-32(28-7-3-9-36(38(28)34)73(60,61)62)50-51-33-13-12-31(26-11-10-25(21-29(26)33)71(54,55)56)49-48-23-19-30-27(37(20-23)74(63,64)65)6-2-8-35(30)72(57,58)59;;;;;/h1-15,18-21H,16-17H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5

InChIKey

WTCMKSCWAMXJGO-UHFFFAOYSA-I

Smiles

c1cc(cc(c1)S(=O)(=O)CCOS(=O)(=O)[O-])Nc2nc(nc(n2)Cl)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])N=Nc5ccc(c6c5cc(cc6)S(=O)(=O)[O-])N=Nc7cc8c(cccc8S(=O)(=O)[O-])c(c7)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]