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Substance Name: Pentasodium 4-(3-(3-carboxylato-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
RN: 94313-66-3
InChIKey: KCXXEYMFAOJIEO-YZCLWIHFSA-I

Molecular Formula

  • C23-H16-N4-O12-S2.5Na

Molecular Weight

  • 716.4537
 
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Names and Synonyms

Synonym

  • EINECS 304-964-6

Systematic Name

  • Pentasodium 4-(3-(3-carboxylato-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 94313-66-3

System Generated Number

  • 0094313663

Molecular Formulas

Molecular Formula

  • C23-H16-N4-O12-S2.5Na

Molecular Formula Fragments

  • C23-H16-N4-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H17N4O12S2.5Na/c28-20-17(19(23(32)33)26(25-20)12-4-8-14(9-5-12)40(34,35)36)3-1-2-16-18(22(30)31)24-27(21(16)29)13-6-10-15(11-7-13)41(37,38)39;;;;;/h1-11,29H,(H,25,28)(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39);;;;;/q;5*+1/p-5/b2-1+,17-3-;;;;;

InChIKey

KCXXEYMFAOJIEO-YZCLWIHFSA-I

Smiles

c1cc(ccc1n2c(c(c(n2)C(=O)[O-])/C=C/C=C\3/C(=N(NC3=O)c4ccc(cc4)S(=O)(=O)[O-])C(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]