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Substance Name: 2-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((2-sulphophenyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphobenzoic acid
RN: 77093-20-0
InChIKey: NYBKROPZNMIFME-JEIPZWNWSA-N

Molecular Formula

  • C26-H18-Cl-N7-O15-S4

Molecular Weight

  • 832.1792
 
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Names and Synonyms

Synonym

  • EINECS 278-617-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77093-20-0

System Generated Number

  • 0077093200

Structure Descriptors

InChI

1S/C26H18ClN7O15S4/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32)/b34-33+

InChIKey

NYBKROPZNMIFME-JEIPZWNWSA-N

Smiles

c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)Cl)Nc5ccc(cc5C(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O