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Substance Name: Tetrasodium 4,4'-((4,6-dihydroxy-1,3-phenylene)bis(azo))bis(5-hydroxy-6-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate)
RN: 83968-72-3
InChIKey: CXWDTRDOHZVEBU-KYWKCFNSSA-J

Molecular Formula

  • C38-H24-N10-O20-S4.4Na

Molecular Weight

  • 1156.85
 
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Names and Synonyms

Synonym

  • EINECS 281-553-7

Systematic Name

  • Tetrasodium 4,4'-((4,6-dihydroxy-1,3-phenylene)bis(azo))bis(5-hydroxy-6-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate)

Registry Numbers

CAS Registry Number

  • 83968-72-3

System Generated Number

  • 0083968723

Molecular Formulas

Molecular Formula

  • C38-H24-N10-O20-S4.4Na

Molecular Formula Fragments

  • C38-H24-N10-O20-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H24N10O20S4.4Na/c49-29-16-30(50)26(42-44-28-14-24(70(60,61)62)10-18-12-32(72(66,67)68)36(38(52)34(18)28)46-40-20-3-7-22(8-4-20)48(55)56)15-25(29)41-43-27-13-23(69(57,58)59)9-17-11-31(71(63,64)65)35(37(51)33(17)27)45-39-19-1-5-21(6-2-19)47(53)54;;;;/h1-16,49-52H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/b43-41+,44-42+,45-39+,46-40+;;;;

InChIKey

CXWDTRDOHZVEBU-KYWKCFNSSA-J

Smiles

c1c(ccc(c1)[N+](=O)[O-])/N=N/c2c(c3c(cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c4c(cc(c(c4)/N=N/c5c6c(c(c(cc6cc(c5)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c7ccc(cc7)[N+](=O)[O-])O)O)O)O.[Na+].[Na+].[Na+].[Na+]