M-[4,5-Dihydro-5-Oxo-3-[4-[(1-Oxohexadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 97158-36-6]

Identification

• Name: M-[4,5-Dihydro-5-Oxo-3-[4-[(1-Oxohexadecyl)Amino]Phenyl]-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 3-[5-Oxo-3-[4-(1-Oxohexadecylamino)Phenyl]-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 3-[5-Keto-3-(4-Palmitamidophenyl)-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₃₁H₄₃N₃O₅S
• Molecular Weight: 569.76
• CAS Registry Number: 97158-36-6
• EINECS: 306-367-6
• SMILES: C1=C([S](=O)(=O)O)C=CC=C1N3N=C(C2=CC=C(NC(=O)CCCCCCCCCCCCCCC)C=C2)CC3=O
• InChI: 1S/C31H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-30(35)32-26-21-19-25(20-22-26)29-24-31(36)34(33-29)27-16-15-17-28(23-27)40(37,38)39/h15-17,19-23H,2-14,18,24H2,1H3,(H,32,35)(H,37,38,39)
• InChIKey: UXCYZDBBKWJIJU-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)