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Substance Name: EINECS 280-827-3
RN: 83783-92-0
InChIKey: PBDDONIMUGKTLN-WAFLLRSRSA-J

Molecular Formula

  • C39-H30-N6-O16-S4.x-C5-H13-N-O2.x-Na

Molecular Weight

  • 1174.0471
 
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Names and Synonyms

Results Name

  • EINECS 280-827-3

Synonym

  • EINECS 280-827-3

Systematic Name

  • 2-Naphthalenesulfonic acid, 7-((((6-((4-ethoxy-3-sulfophenyl)azo)-5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-4-hydroxy-3-((6-sulfo-2-naphthalenyl)azo)-, sodium salt, compd. with 2,2'-(methylimino)bis(ethanol)

Registry Numbers

CAS Registry Number

  • 83783-92-0

System Generated Number

  • 0083783920

Molecular Formulas

Molecular Formula

  • C39-H30-N6-O16-S4.x-C5-H13-N-O2.x-Na

Molecular Formula Fragments

  • C39-H30-N6-O16-S4
  • C5-H13-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H30N6O16S4.C5H13NO2.4Na/c1-2-61-31-12-8-27(19-32(31)63(52,53)54)43-45-36-34(65(58,59)60)18-23-15-25(7-11-30(23)38(36)47)41-39(48)40-24-6-10-29-22(14-24)17-33(64(55,56)57)35(37(29)46)44-42-26-5-3-21-16-28(62(49,50)51)9-4-20(21)13-26;1-6(2-4-7)3-5-8;;;;/h3-19,46-47H,2H2,1H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);7-8H,2-5H2,1H3;;;;/q;;4*+1/p-4/b44-42+,45-43+;;;;;

InChIKey

PBDDONIMUGKTLN-WAFLLRSRSA-J

Smiles

CCOc1ccc(cc1S(=O)(=O)[O-])/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccc7cc(ccc7c6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].CN(CCO)CCO.[Na+].[Na+].[Na+].[Na+]