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Substance Name: 6,13-Dichloro-3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)-10-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid
RN: 94133-49-0
InChIKey: WNTULFIDBUTFBV-UHFFFAOYSA-N

Molecular Formula

  • C36-H18-Cl6-N12-O17-S5

Molecular Weight

  • 1263.6532
 
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Names and Synonyms

Synonym

  • EINECS 302-709-3

Systematic Name

  • 6,13-Dichloro-3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)-10-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid

Registry Numbers

CAS Registry Number

  • 94133-49-0

System Generated Number

  • 0094133490

Structure Descriptors

InChI

1S/C36H18Cl6N12O17S5/c37-19-22-26(71-24-13(47-22)4-6-15(28(24)74(61,62)63)45-16-7-8-17(48-36-53-33(41)50-34(42)54-36)30(76(67,68)69)29(16)75(64,65)66)20(38)21-25(19)70-23-12(46-21)3-5-14(27(23)73(58,59)60)44-11-2-1-10(9-18(11)72(55,56)57)43-35-51-31(39)49-32(40)52-35/h1-9,44-45H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,43,49,51,52)(H,48,50,53,54)

InChIKey

WNTULFIDBUTFBV-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Nc2nc(nc(n2)Cl)Cl)S(=O)(=O)O)Nc3ccc4c(c3S(=O)(=O)O)Oc5c(=N4)c(c6c(=Nc7ccc(c(c7O6)S(=O)(=O)O)Nc8ccc(c(c8S(=O)(=O)O)S(=O)(=O)O)Nc9nc(nc(n9)Cl)Cl)c5Cl)Cl