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Substance Name: 6,13-Dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid
RN: 94133-47-8
InChIKey: LGGGXWROJCSNTL-UHFFFAOYSA-N

Molecular Formula

  • C36-H18-Cl6-N12-O20-S6

Molecular Weight

  • 1343.7162
 
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Names and Synonyms

Synonym

  • EINECS 302-707-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94133-47-8

System Generated Number

  • 0094133478

Structure Descriptors

InChI

1S/C36H18Cl6N12O20S6/c37-17-19-23(73-21-9(45-19)1-3-11(25(21)75(55,56)57)43-13-5-7-15(47-35-51-31(39)49-32(40)52-35)29(79(67,68)69)27(13)77(61,62)63)18(38)20-24(17)74-22-10(46-20)2-4-12(26(22)76(58,59)60)44-14-6-8-16(48-36-53-33(41)50-34(42)54-36)30(80(70,71)72)28(14)78(64,65)66/h1-8,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,47,49,51,52)(H,48,50,53,54)

InChIKey

LGGGXWROJCSNTL-UHFFFAOYSA-N

Smiles

c1cc(c(c2c1N=c3c(c(c4=Nc5ccc(c(c5Oc4c3Cl)S(=O)(=O)O)Nc6ccc(c(c6S(=O)(=O)O)S(=O)(=O)O)Nc7nc(nc(n7)Cl)Cl)Cl)O2)S(=O)(=O)O)Nc8ccc(c(c8S(=O)(=O)O)S(=O)(=O)O)Nc9nc(nc(n9)Cl)Cl