Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4,4'-Bis((6-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, potassium salt, compound with 2-aminoethanol
RN: 85153-98-6
InChIKey: YSGJKJWKOQDUMS-UECMSYGKSA-L

Molecular Formula

  • C40-H44-N12-O10-S2.x-C2-H7-N-O.x-K

Molecular Weight

  • 1054.2571
 
* 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 285-880-6

Systematic Name

  • 4,4'-Bis((6-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, potassium salt, compound with 2-aminoethanol

Registry Numbers

CAS Registry Number

  • 85153-98-6

System Generated Number

  • 0085153986

Molecular Formulas

Molecular Formula

  • C40-H44-N12-O10-S2.x-C2-H7-N-O.x-K

Molecular Formula Fragments

  • C2-H7-N-O
  • C40-H44-N12-O10-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C40H44N12O10S2.C2H7NO.2K/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;3-1-2-4;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);4H,1-3H2;;/q;;2*+1/p-2/b12-11+;;;

InChIKey

YSGJKJWKOQDUMS-UECMSYGKSA-L

Smiles

c1ccc(cc1)Nc2nc(nc(n2)N(CCO)CCO)Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CCO)CCO)Nc6ccccc6.C(CO)N.[K+].[K+]