1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one

CAS Registry Number®

25985-53-9

CAS Name

1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one

Molecular Formula

C33H47N3O6S

Molecular Mass

613.81

Cite this Page

1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25985-53-9 (retrieved 2024-11-25) (CAS RN: 25985-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41)

InChIKey

InChIKey=UYEZDWWGFYJUOF-UHFFFAOYSA-N

SMILES

O=C1N(C2=CC(S(=O)(=O)O)=C(OC3=CC=CC=C3)C=C2)N=C(NC(CCCCCCCCCCCCCCCCC)=O)C1

Canonical SMILES

O=C(NC1=NN(C(=O)C1)C2=CC=C(OC=3C=CC=CC3)C(=C2)S(=O)(=O)O)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Benzenesulfonic acid, 5-[4,5-dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxy-
  • Benzenesulfonic acid, 5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)-2-phenoxy-
  • 5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
  • 1-(4-Phenoxy-3-sulfophenyl)-3-(stearoylamino)-5-pyrazolone
  • 1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one

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