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Substance Name: 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((3-((4-((2,5-disulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)propyl)amino)-, sodium salt (1:6)
RN: 85153-92-0
InChIKey: OGWCZCVMAYOFDC-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C42-H34-Cl2-F2-N14-O20-S6.6Na

Molecular Weight

  • 1496.0624
 
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Names and Synonyms

Synonym

  • EC 400-050-7

Systematic Names

  • 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((3-((4-((2,5-disulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)propyl)amino)-, hexasodium salt
  • 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((3-((4-((2,5-disulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)propyl)amino)-, sodium salt (1:6)
  • Hexasodium 6,13-dichloro-3,10-bis((4-(2,5-disulfonatoanilino)-6-fluoro-1,3,5-triazin-2-ylamino)prop-3-ylamino)-5,12-dioxa-7,14-diazapentacene-4,11-disulfonate

Registry Numbers

CAS Registry Number

  • 85153-92-0

System Generated Number

  • 0085153920

Molecular Formulas

Molecular Formula

  • C42-H34-Cl2-F2-N14-O20-S6.6Na

Molecular Formula Fragments

  • C42-H34-Cl2-F2-N14-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H36Cl2F2N14O20S6.6Na/c1-3-13-59(57-41-53-37(45)51-39(55-41)49-21-15-17(81(61,62)63)5-11-25(21)83(67,68)69)23-9-7-19-31(35(23)85(73,74)75)79-33-27(43)30-34(28(44)29(33)47-19)80-32-20(48-30)8-10-24(36(32)86(76,77)78)60(14-4-2)58-42-54-38(46)52-40(56-42)50-22-16-18(82(64,65)66)6-12-26(22)84(70,71)72;;;;;;/h5-12,15-16,47-48H,3-4,13-14H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H2,49,51,53,55,57)(H2,50,52,54,56,58);;;;;;/q;6*+1

InChIKey

OGWCZCVMAYOFDC-UHFFFAOYSA-N

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCN(Nc1nc(F)nc(Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)n1)c3ccc4Nc5c(Cl)c6Oc7c(Nc6c(Cl)c5Oc4c3S(=O)(=O)O)ccc(N(CCC)Nc8nc(F)nc(Nc9cc(ccc9S(=O)(=O)O)S(=O)(=O)O)n8)c7S(=O)(=O)O