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Substance Name: Disodium 3-((2-chloro-4-nitrophenyl)azo)-4-hydroxy-7-((2-hydroxy-4-((3-hydroxy-4-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)amino)phenyl)azo)naphthalene-2-sulphonate
RN: 85391-43-1
InChIKey: KGTREPLFAIMGCS-VHBBEARBSA-L

Molecular Formula

  • C40-H27-Cl-N10-O13-S2.2Na

Molecular Weight

  • 999.2595
 
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Names and Synonyms

Synonym

  • EINECS 286-797-8

Systematic Name

  • Disodium 3-((2-chloro-4-nitrophenyl)azo)-4-hydroxy-7-((2-hydroxy-4-((3-hydroxy-4-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)amino)phenyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 85391-43-1

System Generated Number

  • 0085391431

Molecular Formulas

Molecular Formula

  • C40-H27-Cl-N10-O13-S2.2Na

Molecular Formula Fragments

  • C40-H27-Cl-N10-O13-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H27ClN10O13S2.2Na/c41-30-19-27(50(55)56)8-13-31(30)46-49-39-38(66(62,63)64)16-21-15-26(5-10-29(21)40(39)54)45-48-33-12-7-25(18-36(33)53)42-24-6-11-32(35(52)17-24)47-44-23-3-1-22(2-4-23)43-34-14-9-28(51(57)58)20-37(34)65(59,60)61;;/h1-20,42-43,52-54H,(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2/b47-44+,48-45+,49-46+;;

InChIKey

KGTREPLFAIMGCS-VHBBEARBSA-L

Smiles

c1cc(ccc1Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])/N=N/c3ccc(cc3O)Nc4ccc(c(c4)O)/N=N/c5ccc6c(c5)cc(c(c6O)/N=N/c7ccc(cc7Cl)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]