Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-5-((1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl)azo)-benzene-1,4-disulphonic acid
RN: 93980-98-4
InChIKey: QNRKVKUHKXUIIN-BYYHNAKLSA-N

Molecular Formula

  • C21-H24-Cl-N7-O12-S3

Molecular Weight

  • 698.1086
 
* 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 301-079-7

Systematic Name

  • 2-((4-Chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-5-((1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl)azo)-benzene-1,4-disulphonic acid

Registry Numbers

CAS Registry Number

  • 93980-98-4

System Generated Number

  • 0093980984

Structure Descriptors

InChI

1S/C21H24ClN7O12S3/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26)/b28-27+

InChIKey

QNRKVKUHKXUIIN-BYYHNAKLSA-N

Smiles

c1(c(=O)n(c(c(c1C)/N=N/c1c(S(=O)(=O)O)cc(c(S(=O)(=O)O)c1)Nc1nc(nc(n1)Cl)OC(C)C)O)CC)CS(=O)(=O)O