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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7,7'-(1,3-propanediylbis(imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:?)
RN: 143683-24-3
InChIKey: JPLCRGQNZBIJND-VXINPHEDSA-N

Classification Code

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

Molecular Formula

  • C43-H36-F2-N18-O20-S6.x-Na

Molecular Weight

  • 1378.2454
 
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Names and Synonyms

  • 1,3,6-Naphthalenetrisulfonic acid, 7,7'-(1,3-propanediylbis(imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 143683-24-3

System Generated Number

  • 0143683243

Structure Descriptors

InChI

1S/C43H36F2N18O20S6.Na/c44-36-54-40(58-42(56-36)50-20-2-4-26(28(12-20)52-38(46)64)60-62-30-16-24-18(10-34(30)88(78,79)80)8-22(84(66,67)68)14-32(24)86(72,73)74)48-6-1-7-49-41-55-37(45)57-43(59-41)51-21-3-5-27(29(13-21)53-39(47)65)61-63-31-17-25-19(11-35(31)89(81,82)83)9-23(85(69,70)71)15-33(25)87(75,76)77;/h2-5,8-17H,1,6-7H2,(H3,46,52,64)(H3,47,53,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,48,50,54,56,58)(H2,49,51,55,57,59);/q;+1/b62-60+,63-61+;

InChIKey

JPLCRGQNZBIJND-VXINPHEDSA-N

Smiles

[Na+].NC(=O)Nc1cc(Nc2nc(F)nc(NCCCNc3nc(F)nc(Nc4ccc(N=Nc5cc6c(cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(NC(=O)N)c4)n3)n2)ccc1N=Nc7cc8c(cc(cc8cc7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O