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Substance Name: 2-((1-Amino-7-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-8-hydroxy-3,6-disulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid
RN: 64253-81-2
InChIKey: CKQUBMVSCOEBSM-HVMBLDELSA-N

Molecular Formula

  • C29-H19-Cl2-N9-O16-S5

Molecular Weight

  • 980.7521
 
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Names and Synonyms

Synonym

  • EINECS 264-758-6

Systematic Name

  • 2-((1-Amino-7-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-8-hydroxy-3,6-disulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid

Registry Numbers

CAS Registry Number

  • 64253-81-2

System Generated Number

  • 0064253812

Structure Descriptors

InChI

1S/C29H19Cl2N9O16S5/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44/h1-10,41H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36)/b39-37+,40-38+

InChIKey

CKQUBMVSCOEBSM-HVMBLDELSA-N

Smiles

c1cc2c(ccc(c2S(=O)(=O)O)/N=N/c3c(cc4cc(c(c(c4c3N)O)/N=N/c5cc(ccc5S(=O)(=O)O)Nc6nc(nc(n6)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)c(c1)S(=O)(=O)O