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Substance Name: EINECS 277-681-8
RN: 74051-79-9
InChIKey: SYLDKLJHYGKNFL-RCWDREBLSA-N

Molecular Formula

  • C26-H18-Cl-N9-O14-S3.3Na

Molecular Weight

  • 881.0982
 
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Names and Synonyms

Results Name

  • EINECS 277-681-8

Synonym

  • EINECS 277-681-8

Systematic Name

  • Trisodium dihydrogen -4-((5-((4-((2-carboxylato-4-sulphonatophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 74051-79-9

System Generated Number

  • 0074051799

Molecular Formulas

Molecular Formula

  • C26-H18-Cl-N9-O14-S3.3Na

Molecular Formula Fragments

  • C26-H18-Cl-N9-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H18ClN9O14S3.3Na/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44;;;/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32);;;/q;3*+1/b34-33+;;;

InChIKey

SYLDKLJHYGKNFL-RCWDREBLSA-N

Smiles

[Na+].[Na+].[Na+].OC(=O)C1=NN(C(=O)C1N=Nc2cc(Nc3nc(Cl)nc(Nc4ccc(cc4C(=O)O)S(=O)(=O)O)n3)ccc2S(=O)(=O)O)c5ccc(cc5)S(=O)(=O)O