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Substance Name: 5-((4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid
RN: 53460-02-9
InChIKey: BUMVIGLKISJXLT-CDJCAARLSA-N

Molecular Formula

  • C34-H35-Cl-N6-O8-S2

Molecular Weight

  • 755.269
 
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Names and Synonyms

Synonym

  • EINECS 258-567-7

Systematic Name

  • 5-((4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 53460-02-9

System Generated Number

  • 0053460029

Structure Descriptors

InChI

1S/C34H35ClN6O8S2/c1-2-3-4-5-6-7-9-12-22-15-17-25(18-16-22)49-34-38-32(35)37-33(39-34)36-27-21-26(50(43,44)45)19-23-20-28(51(46,47)48)30(31(42)29(23)27)41-40-24-13-10-8-11-14-24/h8,10-11,13-21,42H,2-7,9,12H2,1H3,(H,43,44,45)(H,46,47,48)(H,36,37,38,39)/b41-40+

InChIKey

BUMVIGLKISJXLT-CDJCAARLSA-N

Smiles

c1(c(c(O)c2c(c1)cc(S(=O)(=O)O)cc2Nc1nc(Oc2ccc(cc2)CCCCCCCCC)nc(n1)Cl)\N=N\c1ccccc1)S(=O)(=O)O