Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with2,2',2''-nitrilotriethanol (1:4)
RN: 31317-85-8
InChIKey: APDDCOSIBVTIGT-YZNHWISSSA-N

Molecular Formula

  • C36-H36-N12-O14-S4.4C6-H15-N-O3

Molecular Weight

  • 1585.7684
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 250-568-0

Systematic Name

  • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with2,2',2''-nitrilotriethanol (1:4)

Registry Numbers

CAS Registry Number

  • 31317-85-8

System Generated Number

  • 0031317858

Molecular Formulas

Molecular Formula

  • C36-H36-N12-O14-S4.4C6-H15-N-O3

Molecular Formula Fragments

  • C36-H36-N12-O14-S4
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C36H36N12O14S4.4C6H15NO3/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;4*8-4-1-7(2-5-9)3-6-10/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);4*8-10H,1-6H2/b8-7+;;;;

InChIKey

APDDCOSIBVTIGT-YZNHWISSSA-N

Smiles

N(CCO)(CCO)CCO.C(=C\c1c(cc(cc1)Nc1nc(nc(n1)NCCO)Nc1cc(ccc1)S(=O)(=O)O)S(=O)(=O)O)/c1c(cc(cc1)Nc1nc(nc(n1)NCCO)Nc1cc(ccc1)S(=O)(=O)O)S(=O)(=O)O.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO