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Substance Name: EINECS 279-964-1
RN: 82457-21-4
InChIKey: KBRZPIPSKMUDCR-UHFFFAOYSA-I

Molecular Formula

  • C40-H36-N10-O20-S5.5Na

Molecular Weight

  • 1247.0149
 
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Names and Synonyms

Results Name

  • EINECS 279-964-1

Synonym

  • EINECS 279-964-1

Systematic Name

  • 2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, pentasodium salt

Registry Numbers

CAS Registry Number

  • 82457-21-4

System Generated Number

  • 0082457214

Molecular Formulas

Molecular Formula

  • C40-H36-N10-O20-S5.5Na

Molecular Formula Fragments

  • C40-H36-N10-O20-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H36N10O20S5.5Na/c1-70-23-7-9-27(30(18-23)73(61,62)63)47-48-34-31(74(64,65)66)16-20-14-22(6-8-25(20)36(34)53)41-38-43-39(45-40(44-38)50(10-12-51)11-13-52)42-28-19-24(71(55,56)57)15-21-17-32(75(67,68)69)35(37(54)33(21)28)49-46-26-4-2-3-5-29(26)72(58,59)60;;;;;/h2-9,14-19,51-54H,10-13H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5

InChIKey

KBRZPIPSKMUDCR-UHFFFAOYSA-I

Smiles

COc1ccc(c(c1)S(=O)(=O)[O-])N=Nc2c(cc3cc(ccc3c2O)Nc4nc(nc(n4)N(CCO)CCO)Nc5cc(cc6c5c(c(c(c6)S(=O)(=O)[O-])N=Nc7ccccc7S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]