Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,4-Benzenedisulfonic acid, 2,2'-((1-methyl-1,2-ethanediyl)bis(imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis(5-methoxy-, sodium salt (1:?)
RN: 155522-07-9
InChIKey: USKKDBRWQYXJRS-UHWYASIKSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C43-H36-F2-N14-O22-S6.x-Na

Molecular Weight

  • 1354.2154
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 1,4-Benzenedisulfonic acid, 2,2'-((1-methyl-1,2-ethanediyl)bis(imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis(5-methoxy-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 155522-07-9

System Generated Number

  • 0155522079

Structure Descriptors

InChI

1S/C43H36F2N14O22S6.Na/c1-17(47-41-51-39(45)53-43(55-41)49-21-5-7-23-19(9-21)11-33(87(77,78)79)35(37(23)61)59-57-25-13-31(85(71,72)73)27(81-3)15-29(25)83(65,66)67)16-46-40-50-38(44)52-42(54-40)48-20-4-6-22-18(8-20)10-32(86(74,75)76)34(36(22)60)58-56-24-12-30(84(68,69)70)26(80-2)14-28(24)82(62,63)64;/h4-15,17,60-61H,16H2,1-3H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H2,46,48,50,52,54)(H2,47,49,51,53,55);/q;+1/b58-56+,59-57+;

InChIKey

USKKDBRWQYXJRS-UHWYASIKSA-N

Smiles

[Na+].COc1cc(c(cc1S(=O)(=O)O)N=Nc2c(O)c3ccc(Nc4nc(F)nc(NCC(C)Nc5nc(F)nc(Nc6ccc7c(O)c(N=Nc8cc(c(OC)cc8S(=O)(=O)O)S(=O)(=O)O)c(cc7c6)S(=O)(=O)O)n5)n4)cc3cc2S(=O)(=O)O)S(=O)(=O)O