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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)diazenyl)-4-hydroxy-
RN: 68413-52-5
InChIKey: XGPZSWLJLFDEDC-CDJCAARLSA-N

Molecular Formula

  • C32-H21-Cl-F2-N6-O11-S3

Molecular Weight

  • 835.1959
 
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Names and Synonyms

Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-benzamido-3-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-4-hydroxy-
  • EINECS 270-224-3

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-4-hydroxy-
  • 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)diazenyl)-4-hydroxy-
  • 5-(Benzoylamino)-3-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulpho-2-naphthyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 68413-52-5

Other Registry Number

  • 1427309-17-8

System Generated Number

  • 0068413525

Structure Descriptors

InChI

1S/C32H21ClF2N6O11S3/c33-25-29(34)38-32(35)39-30(25)36-14-16-7-4-8-20-19(16)9-10-21(28(20)55(50,51)52)40-41-26-23(54(47,48)49)12-17-11-18(53(44,45)46)13-22(24(17)27(26)42)37-31(43)15-5-2-1-3-6-15/h1-13,42H,14H2,(H,37,43)(H,36,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b41-40+

InChIKey

XGPZSWLJLFDEDC-CDJCAARLSA-N

Smiles

c1ccc(cc1)C(=O)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)O)/N=N/c4ccc5c(cccc5c4S(=O)(=O)O)CNc6c(c(nc(n6)F)F)Cl)O)S(=O)(=O)O