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Substance Name: Dihydrogen 3-(methyl(2-sulphonatoethyl)amino)-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt
RN: 85567-12-0
InChIKey: QVIOXEFVBHHZDT-UHFFFAOYSA-L

Molecular Formula

  • C30-H28-N2-O13-S4.x-Na

Molecular Weight

  • 796.7804
 
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Names and Synonyms

Synonym

  • EINECS 287-724-2

Systematic Name

  • Dihydrogen 3-(methyl(2-sulphonatoethyl)amino)-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt

Registry Numbers

CAS Registry Number

  • 85567-12-0

System Generated Number

  • 0085567120

Molecular Formulas

Molecular Formula

  • C30-H28-N2-O13-S4.x-Na

Molecular Formula Fragments

  • C30-H28-N2-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H28N2O13S4.2Na/c1-32(13-15-47(35,36)37)22-10-12-25-28(19-22)45-27-18-21(9-11-24(27)30(25)26-7-2-3-8-29(26)48(38,39)40)31-20-5-4-6-23(17-20)46(33,34)16-14-44-49(41,42)43;;/h2-12,17-19,31H,13-16H2,1H3,(H2-,35,36,37,38,39,40,41,42,43);;/q;2*+1/p-2

InChIKey

QVIOXEFVBHHZDT-UHFFFAOYSA-L

Smiles

[o+]1c2cc(ccc2c(c2c(S(=O)(=O)[O-])cccc2)c2c1cc(Nc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc1)cc2)N(CCS(=O)(=O)[O-])C.[Na+].[Na+]