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Substance Name: Trisodium 4-((3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl)amino)-5-hydroxy-6-((4-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
RN: 85958-98-1
InChIKey: AGFMYGHESMMLSS-IAXIIBAVSA-K

Molecular Formula

  • C23-H17-Cl2-N5-O12-S3.3Na

Molecular Weight

  • 788.4606
 
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Names and Synonyms

Synonym

  • EINECS 288-987-6

Systematic Name

  • Trisodium 4-((3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl)amino)-5-hydroxy-6-((4-sulphonatophenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85958-98-1

System Generated Number

  • 0085958981

Molecular Formulas

Molecular Formula

  • C23-H17-Cl2-N5-O12-S3.3Na

Molecular Formula Fragments

  • C23-H17-Cl2-N5-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H17Cl2N5O12S3.3Na/c24-15-10-26-30(23(33)20(15)25)6-5-18(31)27-16-9-14(44(37,38)39)7-11-8-17(45(40,41)42)21(22(32)19(11)16)29-28-12-1-3-13(4-2-12)43(34,35)36;;;/h1-4,7-10,32H,5-6H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b29-28+;;;

InChIKey

AGFMYGHESMMLSS-IAXIIBAVSA-K

Smiles

c1cc(ccc1/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)CCn4c(=O)c(c(cn4)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]