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Substance Name: 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((2-((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)propyl)amino)-, lithium sodium salt (1:?:?)
RN: 163062-28-0
InChIKey: RWNDOYHQBKLAKO-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C42-H34-Cl2-F2-N14-O14-S4.x-Li.x-Na

Molecular Weight

  • 1227.9274
 
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Names and Synonyms

Synonym

  • EC 418-000-8

Systematic Names

  • 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((2-((4-fluoro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)propyl)amino)-, lithium sodium salt (1:?:?)
  • 6,13-Dichloro-3,10-bis-(2-(4-fluoro-6-(2-sulfo-phenylamino)-1,3,5-triazin-2-ylamino)-propylamino)-benzo(5,6)(1,4)oxazino(2,3-.b.)phenoxazine-4,11-disulphonic acid, lithium, sodium salt.

Registry Numbers

CAS Registry Number

  • 163062-28-0

System Generated Number

  • 0163062280

Structure Descriptors

InChI

1S/C42H36Cl2F2N14O14S4.Li.Na/c1-17(49-39-55-37(45)57-41(59-39)53-19-7-3-5-9-25(19)75(61,62)63)15-47-23-13-11-21-31(35(23)77(67,68)69)73-33-27(43)30-34(28(44)29(33)51-21)74-32-22(52-30)12-14-24(36(32)78(70,71)72)48-16-18(2)50-40-56-38(46)58-42(60-40)54-20-8-4-6-10-26(20)76(64,65)66;;/h3-14,17-18,47-48,51-52H,15-16H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,49,53,55,57,59)(H2,50,54,56,58,60);;/q;2*+1

InChIKey

RWNDOYHQBKLAKO-UHFFFAOYSA-N

Smiles

[Li+].[Na+].CC(CNc1ccc2Nc3c(Cl)c4Oc5c(Nc4c(Cl)c3Oc2c1S(=O)(=O)O)ccc(NCC(C)Nc6nc(F)nc(Nc7ccccc7S(=O)(=O)O)n6)c5S(=O)(=O)O)Nc8nc(F)nc(Nc9ccccc9S(=O)(=O)O)n8