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Substance Name: 4,11-Triphenodioxazinedisulfonic acid, 6-chloro-3,10-bis((2-((4-chloro-6-((2,4-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-13-ethyl-, sodium salt (1:?)
RN: 151594-21-7
InChIKey: YVYNBUHOFNQUSY-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C42-H35-Cl3-N14-O20-S6.x-Na

Molecular Weight

  • 1377.56
 
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Names and Synonyms

  • 4,11-Triphenodioxazinedisulfonic acid, 6-chloro-3,10-bis((2-((4-chloro-6-((2,4-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-13-ethyl-, sodium salt
  • 4,11-Triphenodioxazinedisulfonic acid, 6-chloro-3,10-bis((2-((4-chloro-6-((2,4-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-13-ethyl-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 151594-21-7

System Generated Number

  • 0151594217

Structure Descriptors

InChI

1S/C42H35Cl3N14O20S6.Na/c1-2-22-30-35(79-34-24(51-30)5-6-25(36(34)85(75,76)77)47-8-10-49-39-54-37(44)56-41(58-39)50-18-11-20(81(63,64)65)15-21(12-18)82(66,67)68)29(43)31-32(22)78-33-26(52-31)13-17(14-28(33)84(72,73)74)46-7-9-48-40-55-38(45)57-42(59-40)53-23-4-3-19(80(60,61)62)16-27(23)83(69,70)71;/h3-6,11-16,46-47H,2,7-10H2,1H3,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,48,53,55,57,59)(H2,49,50,54,56,58);/q;-1

InChIKey

YVYNBUHOFNQUSY-UHFFFAOYSA-N

Smiles

c1(Nc2cc(cc(c2)S(=O)(=O)O)S(=O)(=O)O)nc(NCCNc2ccc3c(c2S(=O)(=O)O)Oc2c(=N3)c(c3c(c2Cl)=Nc2c(c(S(=O)(=O)O)cc(c2)NCCNc2nc(nc(Cl)n2)Nc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2)O3)CC)nc(n1)Cl.[Na-]