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Substance Name: Sodium 4,4'-bis((6-anilino-4-methoxy-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
RN: 85154-00-3
InChIKey: BDYOOAPDMVGPIQ-QDBORUFSSA-L

Molecular Formula

  • C34-H30-N10-O8-S2.x-Na

Molecular Weight

  • 814.7692
 
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Names and Synonyms

Synonym

  • EINECS 285-882-7

Systematic Name

  • Sodium 4,4'-bis((6-anilino-4-methoxy-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 85154-00-3

System Generated Number

  • 0085154003

Molecular Formulas

Molecular Formula

  • C34-H30-N10-O8-S2.x-Na

Molecular Formula Fragments

  • C34-H30-N10-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H30N10O8S2.2Na/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2/b14-13+;;

InChIKey

BDYOOAPDMVGPIQ-QDBORUFSSA-L

Smiles

COc1nc(nc(n1)Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c3ccc(cc3S(=O)(=O)[O-])Nc4nc(nc(n4)OC)Nc5ccccc5)Nc6ccccc6.[Na+].[Na+]