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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-(cyanoamino)-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:?)
RN: 1078724-03-4
InChIKey: NFPPSAGXUDXDPL-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C29-H25-N9-O17-S5.x-Na

Molecular Weight

  • 954.8825
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-(cyanoamino)-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 1078724-03-4

System Generated Number

  • 1078724034

Structure Descriptors

InChI

1S/C29H25N9O17S5.Na/c1-54-23-7-6-20(37-38-21-12-18(57(42,43)44)10-15-11-19(58(45,46)47)13-22(39)24(15)21)26(59(48,49)50)25(23)33-29-35-27(31-14-30)34-28(36-29)32-16-2-4-17(5-3-16)56(40,41)9-8-55-60(51,52)53;/h2-7,10-13,39H,8-9H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,31,32,33,34,35,36);/q;+1

InChIKey

NFPPSAGXUDXDPL-UHFFFAOYSA-N

Smiles

[Na+].COc1ccc(N=Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O)c(c1Nc4nc(NC#N)nc(Nc5ccc(cc5)S(=O)(=O)CCOS(=O)(=O)O)n4)S(=O)(=O)O