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Substance Name: 5-(4,5-Dihydro-5-oxo-3-((1-oxohexadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid
RN: 94349-41-4
InChIKey: SSTSDBMLLNZAPW-UHFFFAOYSA-N

Molecular Formula

  • C31-H43-N3-O6-S

Molecular Weight

  • 585.7617
 
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Names and Synonyms

Synonym

  • EINECS 305-158-7

Systematic Name

  • 5-(4,5-Dihydro-5-oxo-3-((1-oxohexadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 94349-41-4

System Generated Number

  • 0094349414

Structure Descriptors

InChI

1S/C31H43N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(35)32-29-24-31(36)34(33-29)25-21-22-27(28(23-25)41(37,38)39)40-26-18-15-14-16-19-26/h14-16,18-19,21-23H,2-13,17,20,24H2,1H3,(H,32,33,35)(H,37,38,39)

InChIKey

SSTSDBMLLNZAPW-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)N1N=C(CC1=O)NC(CCCCCCCCCCCCCCC)=O)Oc1ccccc1)S(=O)(=O)O