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Substance Name: Disodium hydrogen -2-(6-((2,6-dimethylsulphonatophenyl)amino)-3-((2,6-dimethylsulphonatophenyl)imino)-3H-xanthen-9-yl)benzenesulphonate
RN: 93964-04-6
InChIKey: RHZLPQVASSTLNE-WRVAPXKOSA-L

Molecular Formula

  • C35-H30-N2-O10-S3.2Na

Molecular Weight

  • 778.7882
 
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Names and Synonyms

Synonym

  • EINECS 300-851-0

Systematic Name

  • Disodium hydrogen -2-(6-((2,6-dimethylsulphonatophenyl)amino)-3-((2,6-dimethylsulphonatophenyl)imino)-3H-xanthen-9-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 93964-04-6

System Generated Number

  • 0093964046

Molecular Formulas

Molecular Formula

  • C35-H30-N2-O10-S3.2Na

Molecular Formula Fragments

  • C35-H30-N2-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H30N2O10S3.2Na/c1-19-9-15-30(48(38,39)40)21(3)34(19)36-23-11-13-25-28(17-23)47-29-18-24(37-35-20(2)10-16-31(22(35)4)49(41,42)43)12-14-26(29)33(25)27-7-5-6-8-32(27)50(44,45)46;;/h5-18,36H,1-4H3,(H,38,39,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-24-;;

InChIKey

RHZLPQVASSTLNE-WRVAPXKOSA-L

Smiles

c1(c2c(oc3c1ccc(Nc1c(c(S(=O)(=O)[O-])ccc1C)C)c3)c/c(=N\c1c(c(S(=O)(=O)[O-])ccc1C)C)cc2)c1c(S(=O)(=O)O)cccc1.[Na+].[Na+]