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Substance Name: Dihydrogen -3-(2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)anilino)-6-(methyl(2-sulphonatoethyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt
RN: 94109-46-3
InChIKey: KMFKPEREJSMDGC-UHFFFAOYSA-L

Molecular Formula

  • C32-H32-N2-O14-S4.x-Na

Molecular Weight

  • 840.833
 
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Names and Synonyms

Synonym

  • EINECS 302-487-8

Systematic Name

  • Dihydrogen -3-(2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)anilino)-6-(methyl(2-sulphonatoethyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt

Registry Numbers

CAS Registry Number

  • 94109-46-3

System Generated Number

  • 0094109463

Molecular Formulas

Molecular Formula

  • C32-H32-N2-O14-S4.x-Na

Molecular Formula Fragments

  • C32-H32-N2-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H32N2O14S4.2Na/c1-20-16-26(29(46-3)19-31(20)49(35,36)15-13-47-52(43,44)45)33-21-8-10-23-27(17-21)48-28-18-22(34(2)12-14-50(37,38)39)9-11-24(28)32(23)25-6-4-5-7-30(25)51(40,41)42;;/h4-11,16-19,33H,12-15H2,1-3H3,(H2-,37,38,39,40,41,42,43,44,45);;/q;2*+1/p-2

InChIKey

KMFKPEREJSMDGC-UHFFFAOYSA-L

Smiles

S(=O)(=O)(c1c(c2c3c([o+]c4c2ccc(Nc2c(cc(S(=O)(=O)CCOS(=O)(=O)[O-])c(c2)C)OC)c4)cc(N(CCS(=O)(=O)[O-])C)cc3)cccc1)[O-].[Na+].[Na+]