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Substance Name: 4-(3-(3-Carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide
RN: 60404-77-5
InChIKey: BHDIGERDJZSONU-NFZMXEBLSA-N

Molecular Formula

  • C19-H20-N4-O10-S2

Molecular Weight

  • 528.517
 
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Names and Synonyms

Synonym

  • EINECS 262-220-5

Systematic Name

  • 4-(3-(3-Carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide

Registry Numbers

CAS Registry Number

  • 60404-77-5

System Generated Number

  • 0060404775

Structure Descriptors

InChI

1S/C19H20N4O10S2/c24-16-12(14(18(26)27)20-22(16)10-4-6-34(30,31)8-10)2-1-3-13-15(19(28)29)21-23(17(13)25)11-5-7-35(32,33)9-11/h1-3,10-11,24H,4-9H2,(H,26,27)(H,28,29)/b2-1?,13-3-

InChIKey

BHDIGERDJZSONU-NFZMXEBLSA-N

Smiles

C=1(\C(C(N([C@@H]2CS(=O)(=O)CC2)N1)=O)=C\C=C/c1c(nn(c1O)[C@@H]1CS(=O)(=O)CC1)C(=O)O)C(=O)O