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Substance Name: Pentasodium 5-((6-amino-1-hydroxy-3-sulphonato-5-((3-sulphonatophenyl)azo)-2-naphthyl)azo)-6-ethoxy-8-((7-sulphonato-4-((3-sulphonatophenyl)azo)naphthyl)azo)naphthalene-2-sulphonate
RN: 83221-48-1
InChIKey: RCNDXBALPNORFR-XJIUJXIESA-I

Molecular Formula

  • C44-H33-N9-O17-S5.5Na

Molecular Weight

  • 1230.0312
 
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Names and Synonyms

Synonym

  • EINECS 280-226-6

Systematic Name

  • Pentasodium 5-((6-amino-1-hydroxy-3-sulphonato-5-((3-sulphonatophenyl)azo)-2-naphthyl)azo)-6-ethoxy-8-((7-sulphonato-4-((3-sulphonatophenyl)azo)naphthyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 83221-48-1

System Generated Number

  • 0083221481

Molecular Formulas

Molecular Formula

  • C44-H33-N9-O17-S5.5Na

Molecular Formula Fragments

  • C44-H33-N9-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H33N9O17S5.5Na/c1-2-70-39-22-38(50-49-37-16-15-36(29-11-9-27(19-32(29)37)73(61,62)63)48-46-23-5-3-7-25(17-23)71(55,56)57)33-20-28(74(64,65)66)10-12-30(33)42(39)52-53-43-40(75(67,68)69)21-34-31(44(43)54)13-14-35(45)41(34)51-47-24-6-4-8-26(18-24)72(58,59)60;;;;;/h3-22,54H,2,45H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;/q;5*+1/p-5/b48-46+,50-49+,51-47+,53-52+;;;;;

InChIKey

RCNDXBALPNORFR-XJIUJXIESA-I

Smiles

CCOc1cc(c2cc(ccc2c1/N=N/c3c(cc4c(c3O)ccc(c4/N=N/c5cccc(c5)S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c6ccc(c7c6cc(cc7)S(=O)(=O)[O-])/N=N/c8cccc(c8)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]