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Substance Name: N-(4-((2-(4-((1-Amino-8-hydroxy-2-naphthyl-7-phenylazo-3,6-disulpho)azo)phenyl)-1H-benzimidazol-5-yl)azo)-3-hydroxyphenyl)glycine, compound with 2,2'-iminobisethanol (1:3)
RN: 85169-18-2
InChIKey: PLBFCSSXVWWTRR-VJYLTYOASA-N

Molecular Formula

  • C37-H28-N10-O10-S2.3C4-H11-N-O2

Molecular Weight

  • 1152.2279
 
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Names and Synonyms

Synonym

  • EINECS 285-961-6

Systematic Names

  • Glycine, N-(4-((2-(4-((1-amino-8-hydroxy-7-(phenylazo)-3,6-disulfo-2-naphthalenyl)azo)phenyl)-1H-benzimidazol-5-yl)azo)-3-hydroxyphenyl)-, compd. with 2,2'-iminobis(ethanol) (1:3)
  • N-(4-((2-(4-((1-Amino-8-hydroxy-2-naphthyl-7-phenylazo-3,6-disulpho)azo)phenyl)-1H-benzimidazol-5-yl)azo)-3-hydroxyphenyl)glycine, compound with 2,2'-iminobisethanol (1:3)

Registry Numbers

CAS Registry Number

  • 85169-18-2

System Generated Number

  • 0085169182

Molecular Formulas

Molecular Formula

  • C37-H28-N10-O10-S2.3C4-H11-N-O2

Molecular Formula Fragments

  • C37-H28-N10-O10-S2
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C37H28N10O10S2.3C4H11NO2/c38-33-32-20(15-30(59(55,56)57)35(36(32)51)47-42-21-4-2-1-3-5-21)14-29(58(52,53)54)34(33)46-43-22-8-6-19(7-9-22)37-40-25-12-11-24(16-27(25)41-37)44-45-26-13-10-23(17-28(26)48)39-18-31(49)50;3*6-3-1-5-2-4-7/h1-17,39,48,51H,18,38H2,(H,40,41)(H,49,50)(H,52,53,54)(H,55,56,57);3*5-7H,1-4H2/b45-44+,46-43+,47-42+;;;

InChIKey

PLBFCSSXVWWTRR-VJYLTYOASA-N

Smiles

Nc1c(N=Nc2ccc(cc2)c3nc4ccc(cc4[nH]3)N=Nc5ccc(NCC(=O)O)cc5O)c(cc6cc(c(N=Nc7ccccc7)c(O)c16)S(=O)(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO.OCCNCCO