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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-(ethoxycarbonyl)-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-, ethyl ester, S,S,S',S'-tetraoxide, potassium salt
RN: 60404-76-4
InChIKey: VAGBJQVMCSKBCS-VPXVABQCSA-N

Molecular Formula

  • C25-H30-N4-O10-S2.K

Molecular Weight

  • 649.76
 
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Names and Synonyms

Synonym

  • EINECS 262-218-4

Systematic Name

  • 1H-Pyrazole-3-carboxylic acid, 4-(5-(3-(ethoxycarbonyl)-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-, ethyl ester, S,S,S',S'-tetraoxide, potassium salt

Registry Numbers

CAS Registry Number

  • 60404-76-4

System Generated Number

  • 0060404764

Molecular Formulas

Molecular Formula

  • C25-H30-N4-O10-S2.K

Molecular Formula Fragments

  • C25-H30-N4-O10-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C25H30N4O10S2.K/c1-3-38-24(32)20-18(22(30)28(26-20)16-10-12-40(34,35)14-16)8-6-5-7-9-19-21(25(33)39-4-2)27-29(23(19)31)17-11-13-41(36,37)15-17;/h5-9,16-17,30H,3-4,10-15H2,1-2H3;/q;+1/b7-5+,8-6+,19-9+;

InChIKey

VAGBJQVMCSKBCS-VPXVABQCSA-N

Smiles

CCOC(=O)c1c(c(n(n1)C2CCS(=O)(=O)C2)O)/C=C/C=C/C=C/3\C(=NN(C3=O)C4CCS(=O)(=O)C4)C(=O)OCC.[K+]