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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-(ethoxycarbonyl)-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester, sodium salt
RN: 125301-99-7
InChIKey: ZIQOBXJNZLIFJR-DRKMWABCSA-L

Molecular Formula

  • C29-H26-N4-O12-S2.x-Na

Molecular Weight

  • 730.6366
 
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Names and Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-(ethoxycarbonyl)-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester, sodium salt

Registry Numbers

CAS Registry Number

  • 125301-99-7

System Generated Number

  • 0125301997

Molecular Formulas

Molecular Formula

  • C29-H26-N4-O12-S2.x-Na

Molecular Formula Fragments

  • C29-H26-N4-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H26N4O12S2.2Na/c1-3-44-28(36)24-22(26(34)32(30-24)18-10-14-20(15-11-18)46(38,39)40)8-6-5-7-9-23-25(29(37)45-4-2)31-33(27(23)35)19-12-16-21(17-13-19)47(41,42)43;;/h5-17,34H,3-4H2,1-2H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b7-5+,8-6+,23-9-;;

InChIKey

ZIQOBXJNZLIFJR-DRKMWABCSA-L

Smiles

c1(c(c(n(n1)c1ccc(S(=O)(=O)[O-])cc1)O)/C=C/C=C/C=C1/C(=NN(C1=O)c1ccc(S(=O)(=O)[O-])cc1)C(=O)OCC)C(=O)OCC.[Na+].[Na+]