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Substance Name: C.I. Direct Blue 26, trisodium salt
RN: 7082-31-7
InChIKey: CGQMHDASYXSVPF-JBDTURPZSA-K

Molecular Formula

  • C44-H32-N6-O14-S3.3Na

Molecular Weight

  • 1030.9091
 
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Names and Synonyms

Results Name

  • C.I. Direct Blue 26, trisodium salt

Synonyms

  • C.I. Direct Blue 26, trisodium salt
  • Direct Blue 26, trisodium salt

Systematic Name

  • 1-Naphthalenesulfonic acid, 3-((7-((4'-((1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl (1,1'-biphenyl)-4-yl)azo)-8-hydroxy-6-sulfo-2-naphthalenyl)azo)-4,5-dihydroxy-, trisodium salt

Registry Numbers

CAS Registry Number

  • 7082-31-7

System Generated Number

  • 0007082317

Molecular Formulas

Molecular Formula

  • C44-H32-N6-O14-S3.3Na

Molecular Formula Fragments

  • C44-H32-N6-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H32N6O14S3.3Na/c1-21-15-23(10-13-30(21)46-49-33-20-37(66(59,60)61)28-6-4-8-35(52)40(28)44(33)55)24-11-14-31(22(2)16-24)47-50-41-38(67(62,63)64)17-25-9-12-26(18-29(25)42(41)53)45-48-32-19-36(65(56,57)58)27-5-3-7-34(51)39(27)43(32)54;;;/h3-20,51-55H,1-2H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b48-45+,49-46+,50-47+;;;

InChIKey

CGQMHDASYXSVPF-JBDTURPZSA-K

Smiles

Cc1cc(ccc1/N=N/c2cc(c3cccc(c3c2O)O)S(=O)(=O)[O-])c4ccc(c(c4)C)/N=N/c5c(cc6ccc(cc6c5O)/N=N/c7cc(c8cccc(c8c7O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]