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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:?)
RN: 83400-17-3
InChIKey: DVBOLHWQSSERTH-TYMWBDRGSA-K

Classification Code

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

Molecular Formula

  • C21-H15-Cl-F-N5-O10-S3.x-Na

Molecular Weight

  • 713.97
 
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Names and Synonyms

Synonym

  • EINECS 280-433-1

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, sodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:?)
  • 5-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83400-17-3

System Generated Number

  • 0083400173

Molecular Formulas

Molecular Formula

  • C21-H15-Cl-F-N5-O10-S3.x-Na

Molecular Formula Fragments

  • C21-H15-Cl-F-N5-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H15ClFN5O10S3.3Na/c1-9-17(22)20(26-21(23)24-9)25-13-8-11(39(30,31)32)6-10-7-15(41(36,37)38)18(19(29)16(10)13)28-27-12-4-2-3-5-14(12)40(33,34)35;;;/h2-8,29H,1H3,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b28-27+;;;

InChIKey

DVBOLHWQSSERTH-TYMWBDRGSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(c1Cl)C)F)O)\N=N\c1c(cccc1)S(=O)(=O)[O-])S(=O)(=O)[O-]