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Substance Name: EINECS 280-403-8
RN: 83399-90-0
InChIKey: RCZVWBMNZFKWOD-MHAWFHQYSA-K

Molecular Formula

  • C20-H16-Cl-F2-N7-O11-S3.x-Na

Molecular Weight

  • 765.9777
 
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Names and Synonyms

Results Name

  • EINECS 280-403-8

Synonym

  • EINECS 280-403-8

Systematic Name

  • 2-Amino-5-((2-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulphophenyl)azo)-3-oxobutyroyl)amino)benzene-1,3-disulphonic acid,sodium salt

Registry Numbers

CAS Registry Number

  • 83399-90-0

System Generated Number

  • 0083399900

Molecular Formulas

Molecular Formula

  • C20-H16-Cl-F2-N7-O11-S3.x-Na

Molecular Formula Fragments

  • C20-H16-Cl-F2-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H16ClF2N7O11S3.3Na/c1-7(31)16(19(32)26-9-5-12(43(36,37)38)15(24)13(6-9)44(39,40)41)30-29-10-3-2-8(4-11(10)42(33,34)35)25-18-14(21)17(22)27-20(23)28-18;;;/h2-6,16H,24H2,1H3,(H,26,32)(H,25,27,28)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b30-29+;;;

InChIKey

RCZVWBMNZFKWOD-MHAWFHQYSA-K

Smiles

CC(=O)C(C(=O)Nc1cc(c(c(c1)S(=O)(=O)[O-])N)S(=O)(=O)[O-])/N=N/c2ccc(cc2S(=O)(=O)[O-])Nc3c(c(nc(n3)F)F)Cl.[Na+].[Na+].[Na+]