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Substance Name: o-(((4,5-Dihydro-1-(2-(octadecylthio)phenyl)-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)benzenesulphonic acid
RN: 2566-86-1
InChIKey: XRURHQQYUBFGFD-UHFFFAOYSA-N

Molecular Formula

  • C34-H49-N3-O5-S2

Molecular Weight

  • 643.909
 
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Names and Synonyms

Synonym

  • EINECS 219-899-8

Systematic Name

  • o-(((4,5-Dihydro-1-(2-(octadecylthio)phenyl)-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)benzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 2566-86-1

System Generated Number

  • 0002566861

Structure Descriptors

InChI

1S/C34H49N3O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-43-30-24-19-18-23-29(30)37-33(38)27-32(36-37)35-34(39)28-22-17-20-25-31(28)44(40,41)42/h17-20,22-25H,2-16,21,26-27H2,1H3,(H,35,36,39)(H,40,41,42)

InChIKey

XRURHQQYUBFGFD-UHFFFAOYSA-N

Smiles

N1(N=C(NC(c2c(S(=O)(=O)O)cccc2)=O)CC1=O)c1c(SCCCCCCCCCCCCCCCCCC)cccc1