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Substance Name: Benzoic acid, 5-(2-(4-((((4-(2-(1-amino-8-hydroxy-7-(2-phenyldiazenyl)-3,6-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:3)
RN: 112673-71-9
InChIKey: FPPDNBLIJOKLFD-NUZFQMNMSA-N

Classification Code

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

Molecular Formula

  • C36-H27-N9-O11-S2.3Na

Molecular Weight

  • 894.7633
 
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Names and Synonyms

  • Benzoic acid, 5-(2-(4-((((4-(2-(1-amino-8-hydroxy-7-(2-phenyldiazenyl)-3,6-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 112673-71-9

System Generated Number

  • 0112673719

Structure Descriptors

InChI

1S/C36H27N9O11S2.3Na/c37-31-30-19(17-29(58(54,55)56)33(34(30)47)45-41-22-4-2-1-3-5-22)16-28(57(51,52)53)32(31)44-42-24-12-8-21(9-13-24)39-36(50)38-20-6-10-23(11-7-20)40-43-25-14-15-27(46)26(18-25)35(48)49;;;/h1-18,46-47H,37H2,(H,48,49)(H2,38,39,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/b43-40+,44-42+,45-41+;;;

InChIKey

FPPDNBLIJOKLFD-NUZFQMNMSA-N

Smiles

[Na+].[Na+].[Na+].Nc1c(N=Nc2ccc(NC(=O)Nc3ccc(cc3)N=Nc4ccc(O)c(c4)C(=O)O)cc2)c(cc5cc(c(N=Nc6ccccc6)c(O)c15)S(=O)(=O)O)S(=O)(=O)O