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Substance Name: 1H-Pyrazole-1-propanoic acid, 3-carboxy-4-(2-(2-(ethylsulfonyl)-6-benzothiazolyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:?)
RN: 72639-35-1
InChIKey: IHBSVIKSKQPVGD-BUFQOAPZSA-L

Molecular Formula

  • C16-H15-N5-O7-S2.x-Na

Molecular Weight

  • 497.4187
 
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Names and Synonyms

Synonym

  • 4-((2-(Ethylsulfonyl)-6-benzothiazolyl)azo)-3-carboxy-1-(2-carboxyethyl)-5-oxo-1H-pyrazole, sodium salt

Systematic Names

  • 1H-Pyrazole-1-propanoic acid, 3-carboxy-4-((2-(ethylsulfonyl)-6-benzothiazolyl)azo)-4,5-dihydro-5-oxo-, sodium salt
  • 1H-Pyrazole-1-propanoic acid, 3-carboxy-4-(2-(2-(ethylsulfonyl)-6-benzothiazolyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 72639-35-1

System Generated Number

  • 0072639351

Molecular Formulas

Molecular Formula

  • C16-H15-N5-O7-S2.x-Na

Molecular Formula Fragments

  • C16-H15-N5-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H15N5O7S2.2Na/c1-2-30(27,28)16-17-9-4-3-8(7-10(9)29-16)18-19-12-13(15(25)26)20-21(14(12)24)6-5-11(22)23;;/h3-4,7,12H,2,5-6H2,1H3,(H,22,23)(H,25,26);;/q;2*+1/p-2/b19-18+;;

InChIKey

IHBSVIKSKQPVGD-BUFQOAPZSA-L

Smiles

CCS(=O)(=O)c1nc2ccc(cc2s1)/N=N/C3C(=NN(C3=O)CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]