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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-6-((4'-((2,4-diamino-5-sulfophenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-3-((4-nitrophenyl)azo)-, sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)
RN: 85283-98-3
InChIKey: XZHVZAZJFIXCCO-LSKLQFOVSA-N

Molecular Formula

  • C36-H30-N10-O14-S3.x-C12-H27-N-O6.x-Na

Molecular Weight

  • 1227.2233
 
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Names and Synonyms

Synonym

  • EINECS 286-626-7

Systematic Name

  • 2,7-Naphthalenedisulfonic acid, 4-amino-6-((4'-((2,4-diamino-5-sulfophenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-3-((4-nitrophenyl)azo)-, sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)

Registry Numbers

CAS Registry Number

  • 85283-98-3

System Generated Number

  • 0085283983

Molecular Formulas

Molecular Formula

  • C36-H30-N10-O14-S3.x-C12-H27-N-O6.x-Na

Molecular Formula Fragments

  • C12-H27-N-O6
  • C36-H30-N10-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H30N10O14S3.C12H27NO6.Na/c1-59-27-11-17(3-9-24(27)41-43-26-16-29(61(50,51)52)23(38)15-22(26)37)18-4-10-25(28(12-18)60-2)42-45-35-31(63(56,57)58)14-19-13-30(62(53,54)55)34(33(39)32(19)36(35)47)44-40-20-5-7-21(8-6-20)46(48)49;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-16,47H,37-39H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58);14-16H,1-12H2;/q;;+1/b43-41+,44-40+,45-42+;;

InChIKey

XZHVZAZJFIXCCO-LSKLQFOVSA-N

Smiles

[Na+].COc1cc(ccc1N=Nc2cc(c(N)cc2N)S(=O)(=O)O)c3ccc(N=Nc4c(O)c5c(N)c(N=Nc6ccc(cc6)[N+](=O)[O-])c(cc5cc4S(=O)(=O)O)S(=O)(=O)O)c(OC)c3.OCCOCCN(CCOCCO)CCOCCO