5-[4,5-Dihydro-5-Oxo-3-[(1-Oxohexadecyl)Amino]-1H-Pyrazol-1-Yl]-2-Phenoxybenzenesulphonic Acid
[CAS# 94349-41-4]

Identification

• Name: 5-[4,5-Dihydro-5-Oxo-3-[(1-Oxohexadecyl)Amino]-1H-Pyrazol-1-Yl]-2-Phenoxybenzenesulphonic Acid
• Synonyms: 5-[5-Oxo-3-(1-Oxohexadecylamino)-4H-Pyrazol-1-Yl]-2-(Phenoxy)Benzenesulfonic Acid; 5-(5-Keto-3-Palmitamido-4H-Pyrazol-1-Yl)-2-(Phenoxy)Benzenesulfonic Acid; 5-(4,5-Dihydro-5-Oxo-3-((1-Oxohexadecyl)Amino)-1H-Pyrazol-1-Yl)-2-Phenoxybenzenesulphonic Acid
• Molecular Formula: C₃₁H₄₃N₃O₆S
• Molecular Weight: 585.76
• CAS Registry Number: 94349-41-4
• EINECS: 305-158-7
• SMILES: C2=C(N1N=C(NC(=O)CCCCCCCCCCCCCCC)CC1=O)C=CC(=C2[S](=O)(=O)O)OC3=CC=CC=C3
• 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