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Substance Name: Disodium 1-((4-(((6-methoxypyridazin-3-yl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate
RN: 94232-25-4
InChIKey: LOYSPXFLDAFBJN-UHFFFAOYSA-L

Molecular Formula

  • C20-H22-N4-O9-S3.2Na

Molecular Weight

  • 602.575
 
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Names and Synonyms

Synonym

  • EINECS 303-951-2

Systematic Name

  • Disodium 1-((4-(((6-methoxypyridazin-3-yl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 94232-25-4

System Generated Number

  • 0094232254

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O9-S3.2Na

Molecular Formula Fragments

  • C20-H22-N4-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H22N4O9S3.2Na/c1-33-19-12-11-18(22-23-19)24-34(25,26)16-9-7-15(8-10-16)21-20(36(30,31)32)13-17(35(27,28)29)14-5-3-2-4-6-14;;/h2-12,17,20-21H,13H2,1H3,(H,22,24)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2

InChIKey

LOYSPXFLDAFBJN-UHFFFAOYSA-L

Smiles

[Na+].[Na+].C([C@@H](S(=O)(=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)OC)[C@@H](S(=O)(=O)[O-])c1ccccc1