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Substance Name: EINECS 285-690-3
RN: 85118-36-1
InChIKey: AYDSAKUXHSNAJC-LNZYHPRJSA-G

Molecular Formula

  • C42-H32-N8-O24-S7.7Na

Molecular Weight

  • 1411.0835
 
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Names and Synonyms

Results Name

  • EINECS 285-690-3

Synonym

  • EINECS 285-690-3

Systematic Name

  • 2,7-Naphthalenedisulfonic acid, 3-((4-(2-(4-((8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-2-sulfophenyl)ethenyl)-3-sulfophenyl)azo)-5-amino-4-hydroxy-6-((4-sulfophenyl)azo)-, heptasodium salt

Registry Numbers

CAS Registry Number

  • 85118-36-1

System Generated Number

  • 0085118361

Molecular Formulas

Molecular Formula

  • C42-H32-N8-O24-S7.7Na

Molecular Formula Fragments

  • C42-H32-N8-O24-S7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H32N8O24S7.7Na/c1-19(51)44-29-18-28(76(57,58)59)12-22-13-33(80(69,70)71)39(41(52)35(22)29)49-46-25-6-4-20(30(16-25)77(60,61)62)2-3-21-5-7-26(17-31(21)78(63,64)65)47-50-40-34(81(72,73)74)15-23-14-32(79(66,67)68)38(37(43)36(23)42(40)53)48-45-24-8-10-27(11-9-24)75(54,55)56;;;;;;;/h2-18,52-53H,43H2,1H3,(H,44,51)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;;/q;7*+1/p-7/b3-2+,48-45+,49-46+,50-47+;;;;;;;

InChIKey

AYDSAKUXHSNAJC-LNZYHPRJSA-G

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1ccc(S(=O)(=O)[O-])cc1)N)O)/N=N/c1cc(S(=O)(=O)[O-])c(/C=C/c2c(S(=O)(=O)[O-])cc(/N=N/c3c(S(=O)(=O)[O-])cc4c(c3O)c(cc(S(=O)(=O)[O-])c4)NC(=O)C)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]