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Substance Name: Trisodium 5-((2,6-dihydroxy-3-((4-nitrophenyl)azo)-5-((4-sulphonato-1-naphthyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate
RN: 85851-56-5
InChIKey: OLWYNQQCANTKHN-BMUCBSEHSA-K

Molecular Formula

  • C38-H24-N10-O16-S3.3Na

Molecular Weight

  • 1038.8059
 
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Names and Synonyms

Synonym

  • EINECS 288-616-8

Systematic Name

  • Trisodium 5-((2,6-dihydroxy-3-((4-nitrophenyl)azo)-5-((4-sulphonato-1-naphthyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85851-56-5

System Generated Number

  • 0085851565

Molecular Formulas

Molecular Formula

  • C38-H24-N10-O16-S3.3Na

Molecular Formula Fragments

  • C38-H24-N10-O16-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H24N10O16S3.3Na/c49-36-29(43-39-20-5-9-22(10-6-20)47(52)53)18-30(44-41-27-13-14-31(66(59,60)61)26-4-2-1-3-25(26)27)37(50)35(36)46-42-28-17-24(65(56,57)58)15-19-16-32(67(62,63)64)34(38(51)33(19)28)45-40-21-7-11-23(12-8-21)48(54)55;;;/h1-18,49-51H,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b43-39+,44-41+,45-40+,46-42+;;;

InChIKey

OLWYNQQCANTKHN-BMUCBSEHSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(/N=N/c3c(c(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c3O)/N=N/c3c4c(c(S(=O)(=O)[O-])cc3)cccc4)O)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1ccc([N+](=O)[O-])cc1.[Na+].[Na+].[Na+]