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Substance Name: Disodium hydrogen 5-((4'-((8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)salicylate
RN: 93964-58-0
InChIKey: MTHZRBOSKSDRHC-VCLNPSOFSA-L

Molecular Formula

  • C31-H25-N5-O12-S2.2Na

Molecular Weight

  • 767.6577
 
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Names and Synonyms

Synonym

  • EINECS 300-904-8

Systematic Name

  • Disodium hydrogen 5-((4'-((8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 93964-58-0

System Generated Number

  • 0093964580

Molecular Formulas

Molecular Formula

  • C31-H25-N5-O12-S2.2Na

Molecular Formula Fragments

  • C31-H25-N5-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H25N5O12S2.2Na/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38;;/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b34-33+,36-35+;;

InChIKey

MTHZRBOSKSDRHC-VCLNPSOFSA-L

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c1)cc(S(=O)(=O)[O-])cc2N)O)/N=N/c1c(cc(c2cc(c(/N=N/c3cc(C(=O)O)c(cc3)O)cc2)OC)cc1)OC.[Na+].[Na+]