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Substance Name: 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt
RN: 93981-02-3
InChIKey: HECFMGCMMKUMIN-YZNHWISSSA-J

Molecular Formula

  • C36-H36-N12-O14-S4.x-Na

Molecular Weight

  • 1076.9428
 
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Names and Synonyms

Synonym

  • EINECS 301-083-9

Systematic Name

  • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 93981-02-3

System Generated Number

  • 0093981023

Molecular Formulas

Molecular Formula

  • C36-H36-N12-O14-S4.x-Na

Molecular Formula Fragments

  • C36-H36-N12-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b8-7+;;;;

InChIKey

HECFMGCMMKUMIN-YZNHWISSSA-J

Smiles

S(=O)(=O)(c1cc(Nc2nc(nc(n2)NCCO)Nc2cc(S(=O)(=O)[O-])ccc2)ccc1/C=C/c1c(S(=O)(=O)[O-])cc(Nc2nc(nc(n2)NCCO)Nc2cc(S(=O)(=O)[O-])ccc2)cc1)[O-].[Na+].[Na+].[Na+].[Na+]