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Substance Name: 1,5-Naphthalenedisulfonic acid, 3-(2-(1-(2,5-disulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-7-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:4)
RN: 72379-61-4
InChIKey: LFRDJTHJKWNVQJ-JKDBTGEISA-J

Molecular Formula

  • C24-H16-Cl3-N7-O13-S4.4Na

Molecular Weight

  • 932.9778
 
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Names and Synonyms

  • 1,5-Naphthalenedisulfonic acid, 3-((1-(2,5-disulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-7-((2,5,6-trichloro-4-pyrimidinyl)amino)-, tetrasodium salt
  • 1,5-Naphthalenedisulfonic acid, 3-(2-(1-(2,5-disulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-7-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 72379-61-4

System Generated Number

  • 0072379614

Molecular Formulas

Molecular Formula

  • C24-H16-Cl3-N7-O13-S4.4Na

Molecular Formula Fragments

  • C24-H16-Cl3-N7-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H16Cl3N7O13S4.4Na/c1-9-20(23(35)34(33-9)15-8-12(48(36,37)38)2-3-16(15)49(39,40)41)32-31-11-5-14-13(18(7-11)51(45,46)47)4-10(6-17(14)50(42,43)44)28-22-19(25)21(26)29-24(27)30-22;;;;/h2-8,20H,1H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b32-31+;;;;

InChIKey

LFRDJTHJKWNVQJ-JKDBTGEISA-J

Smiles

CC1=NN(C(=O)C1/N=N/c2cc3c(cc(cc3S(=O)(=O)[O-])Nc4c(c(nc(n4)Cl)Cl)Cl)c(c2)S(=O)(=O)[O-])c5cc(ccc5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]