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Substance Name: Dihydrogen -3-(methyl(2-sulphonatoethyl)amino)-6-((2-(4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)ethyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt
RN: 94109-47-4
InChIKey: GMUOFUIORRJTCW-UHFFFAOYSA-L

Molecular Formula

  • C32-H32-N2-O13-S4.x-Na

Molecular Weight

  • 824.834
 
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Names and Synonyms

Synonym

  • EINECS 302-488-3

Systematic Name

  • Dihydrogen -3-(methyl(2-sulphonatoethyl)amino)-6-((2-(4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)ethyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt

Registry Numbers

CAS Registry Number

  • 94109-47-4

System Generated Number

  • 0094109474

Molecular Formulas

Molecular Formula

  • C32-H32-N2-O13-S4.x-Na

Molecular Formula Fragments

  • C32-H32-N2-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H32N2O13S4.2Na/c1-34(16-18-49(37,38)39)24-9-13-27-30(21-24)47-29-20-23(8-12-26(29)32(27)28-4-2-3-5-31(28)50(40,41)42)33-15-14-22-6-10-25(11-7-22)48(35,36)19-17-46-51(43,44)45;;/h2-13,20-21,33H,14-19H2,1H3,(H2-,37,38,39,40,41,42,43,44,45);;/q;2*+1/p-2

InChIKey

GMUOFUIORRJTCW-UHFFFAOYSA-L

Smiles

S(=O)(=O)(c1c(c2c3c([o+]c4c2ccc(c4)NCCc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc(N(CCS(=O)(=O)[O-])C)cc3)cccc1)[O-].[Na+].[Na+]