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Substance Name: 4-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((1-sulpho-2-naphthyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)benzoic acid
RN: 84434-59-3
InChIKey: KWTFBQRJPMYKJM-HEFFKOSUSA-N

Molecular Formula

  • C30-H20-Cl-N7-O12-S3

Molecular Weight

  • 802.176
 
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Names and Synonyms

Synonym

  • EINECS 282-859-3

Systematic Name

  • 4-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((1-sulpho-2-naphthyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)benzoic acid

Registry Numbers

CAS Registry Number

  • 84434-59-3

System Generated Number

  • 0084434593

Structure Descriptors

InChI

1S/C30H20ClN7O12S3/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36)/b38-37+

InChIKey

KWTFBQRJPMYKJM-HEFFKOSUSA-N

Smiles

c1ccc2c(c1)ccc(c2S(=O)(=O)O)/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(cc6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O