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Substance Name: EINECS 288-525-3
RN: 85750-01-2
InChIKey: AUDPZXIYRNJBSZ-FIIUPRIBSA-K

Molecular Formula

  • C34-H29-N7-O13-S3.x-Na

Molecular Weight

  • 905.7834
 
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Names and Synonyms

Results Name

  • EINECS 288-525-3

Synonym

  • EINECS 288-525-3

Systematic Name

  • 1-Ethyl trihydrogen 2-((4'-((1-amino-8-hydroxy-3,6-disulphonato-7-((4-sulphonatophenyl)azo)-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)acetoacetate, sodium salt

Registry Numbers

CAS Registry Number

  • 85750-01-2

System Generated Number

  • 0085750012

Molecular Formulas

Molecular Formula

  • C34-H29-N7-O13-S3.x-Na

Molecular Formula Fragments

  • C34-H29-N7-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H29N7O13S3.3Na/c1-3-54-34(44)30(18(2)42)39-36-22-8-4-19(5-9-22)20-6-10-23(11-7-20)37-40-31-26(56(48,49)50)16-21-17-27(57(51,52)53)32(33(43)28(21)29(31)35)41-38-24-12-14-25(15-13-24)55(45,46)47;;;/h4-17,30,43H,3,35H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b39-36+,40-37+,41-38+;;;

InChIKey

AUDPZXIYRNJBSZ-FIIUPRIBSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1ccc(S(=O)(=O)[O-])cc1)O)N)/N=N/c1ccc(c2ccc(/N=N/C(C(=O)OCC)C(=O)C)cc2)cc1.[Na+].[Na+].[Na+]