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Substance Name: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt, compound with methylamine
RN: 85187-69-5
InChIKey: AZUBUJPGMWFTQS-FHJHGPAASA-L

Molecular Formula

  • C30-H40-N12-O10-S2.x-C-H5-N.x-Na

Molecular Weight

  • 867.8737
 
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Names and Synonyms

Synonym

  • EINECS 286-157-8

Systematic Name

  • 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt, compound with methylamine

Registry Numbers

CAS Registry Number

  • 85187-69-5

System Generated Number

  • 0085187695

Molecular Formulas

Molecular Formula

  • C30-H40-N12-O10-S2.x-C-H5-N.x-Na

Molecular Formula Fragments

  • C-H5-N
  • C30-H40-N12-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H40N12O10S2.CH5N.2Na/c1-31-25-35-27(39-29(37-25)41(9-13-43)10-14-44)33-21-7-5-19(23(17-21)53(47,48)49)3-4-20-6-8-22(18-24(20)54(50,51)52)34-28-36-26(32-2)38-30(40-28)42(11-15-45)12-16-46;1-2;;/h3-8,17-18,43-46H,9-16H2,1-2H3,(H,47,48,49)(H,50,51,52)(H2,31,33,35,37,39)(H2,32,34,36,38,40);2H2,1H3;;/q;;2*+1/p-2/b4-3+;;;

InChIKey

AZUBUJPGMWFTQS-FHJHGPAASA-L

Smiles

CN.CNc1nc(nc(n1)N(CCO)CCO)Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c3ccc(cc3S(=O)(=O)[O-])Nc4nc(nc(n4)N(CCO)CCO)NC.[Na+].[Na+]